4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C46H52Cl2N6O4 — CID 160533085

IUPAC4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(O)CC2)c2ccccc21.O=C(N1CCN(C2CC2)c2ccccc21)C1(OCc2cc(Cl)ccc2Cl)CC1.c1ccc2c(c1)NCCN2C1CC1
InChIInChI=1S/C22H22Cl2N2O2.C13H16N2O2.C11H14N2/c23-16-5-8-18(24)15(13-16)14-28-22(9-10-22)21(27)26-12-11-25(17-6-7-17)19-3-1-2-4-20(19)26;1-14-8-9-15(12(16)13(17)6-7-13)11-5-3-2-4-10(11)14;1-2-4-11-10(3-1)12-7-8-13(11)9-5-6-9/h1-5,8,13,17H,6-7,9-12,14H2;2-5,17H,6-9H2,1H3;1-4,9,12H,5-8H2
InChIKeyQVUOJTGVMMFWER-UHFFFAOYSA-N
MW823.87 g/mol
LogP8.13
Rot. Bonds7

About 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 160533085) has the molecular formula C46H52Cl2N6O4 and a molecular weight of 823.87 g/mol. Its IUPAC name is 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID160533085
Molecular FormulaC46H52Cl2N6O4
Molecular Weight823.87 g/mol
Exact Mass822.34
IUPAC Name4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(O)CC2)c2ccccc21.O=C(N1CCN(C2CC2)c2ccccc21)C1(OCc2cc(Cl)ccc2Cl)CC1.c1ccc2c(c1)NCCN2C1CC1
InChIInChI=1S/C22H22Cl2N2O2.C13H16N2O2.C11H14N2/c23-16-5-8-18(24)15(13-16)14-28-22(9-10-22)21(27)26-12-11-25(17-6-7-17)19-3-1-2-4-20(19)26;1-14-8-9-15(12(16)13(17)6-7-13)11-5-3-2-4-10(11)14;1-2-4-11-10(3-1)12-7-8-13(11)9-5-6-9/h1-5,8,13,17H,6-7,9-12,14H2;2-5,17H,6-9H2,1H3;1-4,9,12H,5-8H2
InChIKeyQVUOJTGVMMFWER-UHFFFAOYSA-N
XLogP8.13
TPSA91.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.87
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 160533085) is 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)C2(O)CC2)c2ccccc21.O=C(N1CCN(C2CC2)c2ccccc21)C1(OCc2cc(Cl)ccc2Cl)CC1.c1ccc2c(c1)NCCN2C1CC1.
What is the InChIKey of 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is QVUOJTGVMMFWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2.C13H16N2O2.C11H14N2/c23-16-5-8-18(24)15(13-16)14-28-22(9-10-22)21(27)26-12-11-25(17-6-7-17)19-3-1-2-4-20(19)26;1-14-8-9-15(12(16)13(17)6-7-13)11-5-3-2-4-10(11)14;1-2-4-11-10(3-1)12-7-8-13(11)9-5-6-9/h1-5,8,13,17H,6-7,9-12,14H2;2-5,17H,6-9H2,1H3;1-4,9,12H,5-8H2.
What are the key properties of 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 823.87 g/mol, XLogP of 8.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,3-dihydro-1H-quinoxaline;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclopropyl]methanone;(1-hydroxycyclopropyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 160533085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).