N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide

C26H22N4O2 — CID 167908559

IUPACN-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc21
InChIInChI=1S/C26H22N4O2/c27-26(32)30-14-6-9-18-12-13-19(15-24(18)30)28-25(31)21-16-23(17-7-2-1-3-8-17)29-22-11-5-4-10-20(21)22/h1-5,7-8,10-13,15-16H,6,9,14H2,(H2,27,32)(H,28,31)
InChIKeyMCMYLNCQZWYFOC-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.99
Rot. Bonds3

About N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide

N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 167908559) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide
PubChem CID167908559
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc21
InChIInChI=1S/C26H22N4O2/c27-26(32)30-14-6-9-18-12-13-19(15-24(18)30)28-25(31)21-16-23(17-7-2-1-3-8-17)29-22-11-5-4-10-20(21)22/h1-5,7-8,10-13,15-16H,6,9,14H2,(H2,27,32)(H,28,31)
InChIKeyMCMYLNCQZWYFOC-UHFFFAOYSA-N
XLogP4.99
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154861668
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide
CID 2977359
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
CID 1018989
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 30494390
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
CID 166336345
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide (CID 167908559) is N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide is NC(=O)N1CCCc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc21.
What is the InChIKey of N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is MCMYLNCQZWYFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c27-26(32)30-14-6-9-18-12-13-19(15-24(18)30)28-25(31)21-16-23(17-7-2-1-3-8-17)29-22-11-5-4-10-20(21)22/h1-5,7-8,10-13,15-16H,6,9,14H2,(H2,27,32)(H,28,31).
What are the key properties of N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide?
N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 167908559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).