7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide

C21H19N5O2 — CID 154861668

IUPAC7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC(=O)c3cncnc3-c3ccccc3)cc21
InChIInChI=1S/C21H19N5O2/c22-21(28)26-10-4-7-14-8-9-16(11-18(14)26)25-20(27)17-12-23-13-24-19(17)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13H,4,7,10H2,(H2,22,28)(H,25,27)
InChIKeyRMCOQFDDJSKCDZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.23
Rot. Bonds3

About 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide

7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 154861668) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID154861668
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC(=O)c3cncnc3-c3ccccc3)cc21
InChIInChI=1S/C21H19N5O2/c22-21(28)26-10-4-7-14-8-9-16(11-18(14)26)25-20(27)17-12-23-13-24-19(17)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13H,4,7,10H2,(H2,22,28)(H,25,27)
InChIKeyRMCOQFDDJSKCDZ-UHFFFAOYSA-N
XLogP3.23
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide
CID 167908559
N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 110861087
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-amino-1-methylpyrazole-4-carboxamide
CID 166289148
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
CID 71806504
7-[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154840494
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-5-chloro-2-nitrobenzamide
CID 16835054
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153

Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 154861668) is 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide is NC(=O)N1CCCc2ccc(NC(=O)c3cncnc3-c3ccccc3)cc21.
What is the InChIKey of 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is RMCOQFDDJSKCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-21(28)26-10-4-7-14-8-9-16(11-18(14)26)25-20(27)17-12-23-13-24-19(17)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13H,4,7,10H2,(H2,22,28)(H,25,27).
What are the key properties of 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 154861668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).