4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one

C24H19N3O3 — CID 23473432

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCCc3ccccc32)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C24H19N3O3/c28-24-23(27(29)30)22(25-16-8-10-17-9-4-6-14-20(17)25)19-13-5-7-15-21(19)26(24)18-11-2-1-3-12-18/h1-7,9,11-15H,8,10,16H2
InChIKeyYKEGJZHSVNJPSR-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.98
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one

4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one (PubChem CID 23473432) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one
PubChem CID23473432
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCCc3ccccc32)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C24H19N3O3/c28-24-23(27(29)30)22(25-16-8-10-17-9-4-6-14-20(17)25)19-13-5-7-15-21(19)26(24)18-11-2-1-3-12-18/h1-7,9,11-15H,8,10,16H2
InChIKeyYKEGJZHSVNJPSR-UHFFFAOYSA-N
XLogP4.98
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one
CID 2879719
4-[2-(azepan-1-yl)ethylamino]-3-nitro-1-phenylquinolin-2-one
CID 2919974
9-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]phenyl]carbazole
CID 90215596
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine
CID 2960132
4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)-3-nitrobenzenesulfonyl chloride
CID 141060965
27-phenyl-4,10,27,36,42-pentaza-19,51-diboraheptadecacyclo[34.19.1.14,20.15,9.110,14.137,41.142,46.02,35.03,25.026,34.028,33.052,56.018,60.019,61.024,59.050,57.051,58]henhexaconta-1(55),2(35),3(25),5(61),6,8,14,16,18(60),20(59),21,23,26(34),28,30,32,37(58),38,40,46,48,50(57),52(56),53-tetracosaene
CID 160864679
4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one
CID 23473405
1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 82120294
10,19-diphenyl-1,10,19,36-tetraza-27-boradodecacyclo[20.19.1.127,37.128,32.02,21.03,11.04,9.012,20.013,18.026,42.036,44.041,43]tetratetraconta-2,4,6,8,11,13,15,17,20,22,24,26(42),28(44),29,31,37,39,41(43)-octadecaene;9,15,35,41,61,67-hexaza-1,27,53-triborapentacosacyclo[60.16.1.12,6.19,28.110,14.115,22.135,54.136,40.141,48.167,74.07,60.08,33.016,21.034,59.042,47.066,79.068,73.026,85.027,86.032,84.052,82.053,83.058,81.061,87.078,80]heptaoctaconta-2(87),3,5,7,10,12,14(86),16,18,20,22,24,26(85),28(84),29,31,33,36,38,40(83),42,44,46,48,50,52(82),54(81),55,57,59,62,64,66(79),68,70,72,74,76,78(80)-nonatriacontaene;27-phenyl-4,10,27,36,42-pentaza-19,51-diboraheptadecacyclo[34.19.1.14,20.15,9.110,14.137,41.142,46.02,35.03,25.026,34.028,33.052,56.018,60.019,61.024,59.050,57.051,58]henhexaconta-1(55),2(35),3(25),5(61),6,8,14,16,18(60),20(59),21,23,26(34),28,30,32,37(58),38,40,46,48,50(57),52(56),53-tetracosaene
CID 160864678
4-(4-methoxyanilino)-3-nitro-1-phenylquinolin-2-one
CID 23473427
4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one
CID 23473428

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one (CID 23473432) is 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one is O=c1c([N+](=O)[O-])c(N2CCCc3ccccc32)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one?
The InChIKey is YKEGJZHSVNJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-24-23(27(29)30)22(25-16-8-10-17-9-4-6-14-20(17)25)19-13-5-7-15-21(19)26(24)18-11-2-1-3-12-18/h1-7,9,11-15H,8,10,16H2.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one?
4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one has a molecular weight of 397.43 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-3-nitro-1-phenylquinolin-2-one is sourced from PubChem (CID 23473432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).