(NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine

C24H19N4OP — CID 142830737

IUPAC(NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine
SMILESO/N=C(/P)Cc1ccccc1-n1cnc2cnc3ccc(-c4ccccc4)cc3c21
InChIInChI=1S/C24H19N4OP/c29-27-23(30)13-18-8-4-5-9-22(18)28-15-26-21-14-25-20-11-10-17(12-19(20)24(21)28)16-6-2-1-3-7-16/h1-12,14-15,29H,13,30H2/b27-23+
InChIKeyGBSXAIDUZPWBCD-SLEBQGDGSA-N
MW410.42 g/mol
LogP5.45
Rot. Bonds4

About (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine

(NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine (PubChem CID 142830737) has the molecular formula C24H19N4OP and a molecular weight of 410.42 g/mol. Its IUPAC name is (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine
PubChem CID142830737
Molecular FormulaC24H19N4OP
Molecular Weight410.42 g/mol
Exact Mass410.13
IUPAC Name(NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine
SMILESO/N=C(/P)Cc1ccccc1-n1cnc2cnc3ccc(-c4ccccc4)cc3c21
InChIInChI=1S/C24H19N4OP/c29-27-23(30)13-18-8-4-5-9-22(18)28-15-26-21-14-25-20-11-10-17(12-19(20)24(21)28)16-6-2-1-3-7-16/h1-12,14-15,29H,13,30H2/b27-23+
InChIKeyGBSXAIDUZPWBCD-SLEBQGDGSA-N
XLogP5.45
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine
CID 142830757
2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
CID 10361421
1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline
CID 158039592
3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]benzaldehyde
CID 159172326
1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline
CID 11328446
8-chloro-1-(2-chlorophenyl)imidazo[4,5-c]quinoline
CID 10448328
1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline
CID 11224139
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87185357
3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156254
2-[4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11314587
1-methyl-6-phenylbenzimidazole
CID 135028518

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine (CID 142830737) is (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine is O/N=C(/P)Cc1ccccc1-n1cnc2cnc3ccc(-c4ccccc4)cc3c21.
What is the InChIKey of (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine?
The InChIKey is GBSXAIDUZPWBCD-SLEBQGDGSA-N. The full InChI is InChI=1S/C24H19N4OP/c29-27-23(30)13-18-8-4-5-9-22(18)28-15-26-21-14-25-20-11-10-17(12-19(20)24(21)28)16-6-2-1-3-7-16/h1-12,14-15,29H,13,30H2/b27-23+.
What are the key properties of (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine?
(NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine has a molecular weight of 410.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine is sourced from PubChem (CID 142830737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).