N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide

C23H19N3O4 — CID 16835048

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H19N3O4/c27-22(17-9-12-20(13-10-17)26(29)30)24-19-11-8-16-7-4-14-25(21(16)15-19)23(28)18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,27)
InChIKeyPHVSJQJGHSJEHN-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.44
Rot. Bonds4

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide (PubChem CID 16835048) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
PubChem CID16835048
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H19N3O4/c27-22(17-9-12-20(13-10-17)26(29)30)24-19-11-8-16-7-4-14-25(21(16)15-19)23(28)18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,27)
InChIKeyPHVSJQJGHSJEHN-UHFFFAOYSA-N
XLogP4.44
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-5-chloro-2-nitrobenzamide
CID 16835054
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
(E)-N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1417660
N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 37162744
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
CID 71806504
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 22782103
N-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 19299986

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide (CID 16835048) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide is O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide?
The InChIKey is PHVSJQJGHSJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-22(17-9-12-20(13-10-17)26(29)30)24-19-11-8-16-7-4-14-25(21(16)15-19)23(28)18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,27).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide has a molecular weight of 401.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide is sourced from PubChem (CID 16835048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).