1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea

C18H21N5O — CID 99584345

IUPAC1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea
SMILESCc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c2ncccc2c1
InChIInChI=1S/C18H21N5O/c1-11-7-14-5-4-6-19-17(14)16(8-11)21-18(24)20-12(2)9-15-10-13(3)22-23-15/h4-8,10,12H,9H2,1-3H3,(H,22,23)(H2,20,21,24)/t12-/m0/s1
InChIKeyNUGIFUOKRMOGAU-LBPRGKRZSA-N
MW323.40 g/mol
LogP3.33
Rot. Bonds4

About 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea

1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea (PubChem CID 99584345) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea
PubChem CID99584345
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea
SMILESCc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c2ncccc2c1
InChIInChI=1S/C18H21N5O/c1-11-7-14-5-4-6-19-17(14)16(8-11)21-18(24)20-12(2)9-15-10-13(3)22-23-15/h4-8,10,12H,9H2,1-3H3,(H,22,23)(H2,20,21,24)/t12-/m0/s1
InChIKeyNUGIFUOKRMOGAU-LBPRGKRZSA-N
XLogP3.33
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 91649344
1-(4,6-dimethyl-2-pyridinyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99624390
1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea
CID 86799745
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951
1-(2-cyano-4-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99715677
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99716281
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 124594022

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea?
The IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea (CID 99584345) is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea.
What is the SMILES notation for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea?
The canonical SMILES for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea is Cc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c2ncccc2c1.
What is the InChIKey of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea?
The InChIKey is NUGIFUOKRMOGAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-7-14-5-4-6-19-17(14)16(8-11)21-18(24)20-12(2)9-15-10-13(3)22-23-15/h4-8,10,12H,9H2,1-3H3,(H,22,23)(H2,20,21,24)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea?
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea is sourced from PubChem (CID 99584345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).