1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C16H19N5O2 — CID 51084769

IUPAC1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC(NC(=O)NCc1ccn[nH]1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H19N5O2/c1-10(19-16(23)17-9-13-6-7-18-21-13)11-2-4-14-12(8-11)3-5-15(22)20-14/h2,4,6-8,10H,3,5,9H2,1H3,(H,18,21)(H,20,22)(H2,17,19,23)
InChIKeyVORWIPGISXDSHN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.85
Rot. Bonds4

About 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51084769) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51084769
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC(NC(=O)NCc1ccn[nH]1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H19N5O2/c1-10(19-16(23)17-9-13-6-7-18-21-13)11-2-4-14-12(8-11)3-5-15(22)20-14/h2,4,6-8,10H,3,5,9H2,1H3,(H,18,21)(H,20,22)(H2,17,19,23)
InChIKeyVORWIPGISXDSHN-UHFFFAOYSA-N
XLogP1.85
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea with MolForge

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Related Compounds

4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
CID 135124681
(+/-)-4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carboxylic acid [2-[1,4']bipiperidinyl-1'-yl-1-(7-methyl-1H-indazol-5-ylmethyl)-2-oxo-ethyl]-amide
CID 10077700
N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 10416713
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11467753
(r)-4-(2-Oxo-1,4-dihydro-2h-quinazolin-3-yl)-piperidine-1-carboxylic acid [2-[1,4']bipiperidinyl-1'-yl-1-(1h-indazol-5-ylmethyl)-2-oxo-ethyl]-amide
CID 24863333
4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide
CID 71061025
1-cycloheptyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10526645
1-cyclohexyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10573963
1-cyclopentyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10597258
N-[(7R)-9-methyl-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11977861
N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11977970
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-piperidin-1-ylbutane-1,4-dione
CID 21102038

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51084769) is 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is CC(NC(=O)NCc1ccn[nH]1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is VORWIPGISXDSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(19-16(23)17-9-13-6-7-18-21-13)11-2-4-14-12(8-11)3-5-15(22)20-14/h2,4,6-8,10H,3,5,9H2,1H3,(H,18,21)(H,20,22)(H2,17,19,23).
What are the key properties of 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 313.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51084769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).