(3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone

C99H94Cl2F6N16O4 — CID 160668244

IUPAC(3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(C)c3)CC1)C2
InChIInChI=1S/2C25H23F3N4O.C25H26N4O.C24H22Cl2N4O/c1-29-23-30-15-17-14-24(20-8-3-2-7-19(20)21(17)31-23)9-11-32(12-10-24)22(33)16-5-4-6-18(13-16)25(26,27)28;1-29-23-30-15-17-14-24(20-5-3-2-4-19(20)21(17)31-23)10-12-32(13-11-24)22(33)16-6-8-18(9-7-16)25(26,27)28;1-17-6-5-7-18(14-17)23(30)29-12-10-25(11-13-29)15-19-16-27-24(26-2)28-22(19)20-8-3-4-9-21(20)25;1-27-23-28-14-16-13-24(18-5-3-2-4-17(18)21(16)29-23)8-10-30(11-9-24)22(31)15-6-7-19(25)20(26)12-15/h2-8,13,15H,9-12,14H2,1H3,(H,29,30,31);2-9,15H,10-14H2,1H3,(H,29,30,31);3-9,14,16H,10-13,15H2,1-2H3,(H,26,27,28);2-7,12,14H,8-11,13H2,1H3,(H,27,28,29)
InChIKeyRMPBRIVGPFYFJV-UHFFFAOYSA-N
MW1756.84 g/mol
LogP19.31
Rot. Bonds8

About (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone

(3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 160668244) has the molecular formula C99H94Cl2F6N16O4 and a molecular weight of 1756.84 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID160668244
Molecular FormulaC99H94Cl2F6N16O4
Molecular Weight1756.84 g/mol
Exact Mass1754.69
IUPAC Name(3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(C)c3)CC1)C2
InChIInChI=1S/2C25H23F3N4O.C25H26N4O.C24H22Cl2N4O/c1-29-23-30-15-17-14-24(20-8-3-2-7-19(20)21(17)31-23)9-11-32(12-10-24)22(33)16-5-4-6-18(13-16)25(26,27)28;1-29-23-30-15-17-14-24(20-5-3-2-4-19(20)21(17)31-23)10-12-32(13-11-24)22(33)16-6-8-18(9-7-16)25(26,27)28;1-17-6-5-7-18(14-17)23(30)29-12-10-25(11-13-29)15-19-16-27-24(26-2)28-22(19)20-8-3-4-9-21(20)25;1-27-23-28-14-16-13-24(18-5-3-2-4-17(18)21(16)29-23)8-10-30(11-9-24)22(31)15-6-7-19(25)20(26)12-15/h2-8,13,15H,9-12,14H2,1H3,(H,29,30,31);2-9,15H,10-14H2,1H3,(H,29,30,31);3-9,14,16H,10-13,15H2,1-2H3,(H,26,27,28);2-7,12,14H,8-11,13H2,1H3,(H,27,28,29)
InChIKeyRMPBRIVGPFYFJV-UHFFFAOYSA-N
XLogP19.31
TPSA232.48 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001756.84
LogP ≤ 519.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 160668244) is (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone is CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC1)C2.CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(C)c3)CC1)C2.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RMPBRIVGPFYFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23F3N4O.C25H26N4O.C24H22Cl2N4O/c1-29-23-30-15-17-14-24(20-8-3-2-7-19(20)21(17)31-23)9-11-32(12-10-24)22(33)16-5-4-6-18(13-16)25(26,27)28;1-29-23-30-15-17-14-24(20-5-3-2-4-19(20)21(17)31-23)10-12-32(13-11-24)22(33)16-6-8-18(9-7-16)25(26,27)28;1-17-6-5-7-18(14-17)23(30)29-12-10-25(11-13-29)15-19-16-27-24(26-2)28-22(19)20-8-3-4-9-21(20)25;1-27-23-28-14-16-13-24(18-5-3-2-4-17(18)21(16)29-23)8-10-30(11-9-24)22(31)15-6-7-19(25)20(26)12-15/h2-8,13,15H,9-12,14H2,1H3,(H,29,30,31);2-9,15H,10-14H2,1H3,(H,29,30,31);3-9,14,16H,10-13,15H2,1-2H3,(H,26,27,28);2-7,12,14H,8-11,13H2,1H3,(H,27,28,29).
What are the key properties of (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone?
(3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 1756.84 g/mol, XLogP of 19.31, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 160668244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).