5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile

C23H17ClN4O — CID 15944679

IUPAC5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
SMILESN#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN4O/c24-14-10-8-13(9-11-14)20-16(12-25)23-27-22(26)15-4-1-2-5-17(15)28(23)18-6-3-7-19(29)21(18)20/h1-2,4-5,8-11,20H,3,6-7H2,(H2,26,27)
InChIKeyHAGKTEWJBZQOAL-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.40
Rot. Bonds1

About 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile

5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile (PubChem CID 15944679) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile.

Molecular Properties

Compound Name5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
PubChem CID15944679
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
SMILESN#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN4O/c24-14-10-8-13(9-11-14)20-16(12-25)23-27-22(26)15-4-1-2-5-17(15)28(23)18-6-3-7-19(29)21(18)20/h1-2,4-5,8-11,20H,3,6-7H2,(H2,26,27)
InChIKeyHAGKTEWJBZQOAL-UHFFFAOYSA-N
XLogP4.40
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile with MolForge

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Related Compounds

5-amino-8-(4-chlorophenyl)-11,11-dimethyl-9-oxo-10,12-dihydro-8H-quinolino[1,2-a]quinazoline-7-carbonitrile
CID 3429442
(8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 41132935
5-amino-8-(4-ethoxyphenyl)-9-oxo-11-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 3429375
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23903725
(8S,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-thiophen-3-yl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 41091755
pentakis(2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile);ethanol
CID 163332777
(8S,11S)-5-amino-11-(furan-2-yl)-9-oxo-8-thiophen-2-yl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 41073741
(4S)-2-amino-4-(4-fluorophenyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7123120
(4S)-2-amino-4-(4-nitrophenyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1238202
(4R)-2-amino-1-(4-chlorophenyl)-4-(2-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 92844192
9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 1088711
4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 4190328

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
The IUPAC name of 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile (CID 15944679) is 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile.
What is the SMILES notation for 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
The canonical SMILES for 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile is N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
The InChIKey is HAGKTEWJBZQOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c24-14-10-8-13(9-11-14)20-16(12-25)23-27-22(26)15-4-1-2-5-17(15)28(23)18-6-3-7-19(29)21(18)20/h1-2,4-5,8-11,20H,3,6-7H2,(H2,26,27).
What are the key properties of 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile has a molecular weight of 400.87 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile is sourced from PubChem (CID 15944679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).