4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

C67H69F3N12 — CID 161051535

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1.c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)cccc2c1.c1ccc2c(c1)CCN(c1nc(N3CCCCC3)nc3ccccc13)C2
InChIInChI=1S/C24H24N4.C22H24N4.C21H21F3N4/c1-6-15-28(16-7-1)24-26-22-14-5-4-13-21(22)23(27-24)25-17-19-11-8-10-18-9-2-3-12-20(18)19;1-6-13-25(14-7-1)22-23-20-11-5-4-10-19(20)21(24-22)26-15-12-17-8-2-3-9-18(17)16-26;22-21(23,24)16-10-8-15(9-11-16)14-25-19-17-6-2-3-7-18(17)26-20(27-19)28-12-4-1-5-13-28/h2-5,8-14H,1,6-7,15-17H2,(H,25,26,27);2-5,8-11H,1,6-7,12-16H2;2-3,6-11H,1,4-5,12-14H2,(H,25,26,27)
InChIKeyUCEXCWKLCKDZIB-UHFFFAOYSA-N
MW1099.37 g/mol
LogP14.82
Rot. Bonds10

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 161051535) has the molecular formula C67H69F3N12 and a molecular weight of 1099.37 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID161051535
Molecular FormulaC67H69F3N12
Molecular Weight1099.37 g/mol
Exact Mass1098.57
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1.c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)cccc2c1.c1ccc2c(c1)CCN(c1nc(N3CCCCC3)nc3ccccc13)C2
InChIInChI=1S/C24H24N4.C22H24N4.C21H21F3N4/c1-6-15-28(16-7-1)24-26-22-14-5-4-13-21(22)23(27-24)25-17-19-11-8-10-18-9-2-3-12-20(18)19;1-6-13-25(14-7-1)22-23-20-11-5-4-10-19(20)21(24-22)26-15-12-17-8-2-3-9-18(17)16-26;22-21(23,24)16-10-8-15(9-11-16)14-25-19-17-6-2-3-7-18(17)26-20(27-19)28-12-4-1-5-13-28/h2-5,8-14H,1,6-7,15-17H2,(H,25,26,27);2-5,8-11H,1,6-7,12-16H2;2-3,6-11H,1,4-5,12-14H2,(H,25,26,27)
InChIKeyUCEXCWKLCKDZIB-UHFFFAOYSA-N
XLogP14.82
TPSA114.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.37
LogP ≤ 514.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
7-(2,6-Dimethylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841611
N-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 51030643
6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine
CID 118916031
N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3233464
N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3233586
4-Piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline
CID 3233915
2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine
CID 3234479
6-Piperazin-1-yl-benzo[k]phenanthridine
CID 10041280
2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quinazoline
CID 25132196
2,4-Diamino-6-[N-(beta-naphthyl)-N-propylamino]quinazoline
CID 25132198
2,4-Diamino-6-[N-(beta-naphthyl)-N-cyclopropyl methylamino]-quinazoline
CID 44569106

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 161051535) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is FC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1.c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)cccc2c1.c1ccc2c(c1)CCN(c1nc(N3CCCCC3)nc3ccccc13)C2.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is UCEXCWKLCKDZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4.C22H24N4.C21H21F3N4/c1-6-15-28(16-7-1)24-26-22-14-5-4-13-21(22)23(27-24)25-17-19-11-8-10-18-9-2-3-12-20(18)19;1-6-13-25(14-7-1)22-23-20-11-5-4-10-19(20)21(24-22)26-15-12-17-8-2-3-9-18(17)16-26;22-21(23,24)16-10-8-15(9-11-16)14-25-19-17-6-2-3-7-18(17)26-20(27-19)28-12-4-1-5-13-28/h2-5,8-14H,1,6-7,15-17H2,(H,25,26,27);2-5,8-11H,1,6-7,12-16H2;2-3,6-11H,1,4-5,12-14H2,(H,25,26,27).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 1099.37 g/mol, XLogP of 14.82, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylquinazoline;N-(naphthalen-1-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 161051535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).