1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea

C17H17FN4O2 — CID 99585754

IUPAC1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccccn1
InChIInChI=1S/C17H17FN4O2/c1-10(13-4-2-3-7-19-13)20-17(24)22-15-8-11-5-6-16(23)21-14(11)9-12(15)18/h2-4,7-10H,5-6H2,1H3,(H,21,23)(H2,20,22,24)/t10-/m1/s1
InChIKeyQMWLKHGKNDQJRX-SNVBAGLBSA-N
MW328.35 g/mol
LogP2.99
Rot. Bonds3

About 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 99585754) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID99585754
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccccn1
InChIInChI=1S/C17H17FN4O2/c1-10(13-4-2-3-7-19-13)20-17(24)22-15-8-11-5-6-16(23)21-14(11)9-12(15)18/h2-4,7-10H,5-6H2,1H3,(H,21,23)(H2,20,22,24)/t10-/m1/s1
InChIKeyQMWLKHGKNDQJRX-SNVBAGLBSA-N
XLogP2.99
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 99585746
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 86802588
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea
CID 99585473
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 99585077
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 99585344
1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 51944656
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide
CID 99606624

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea (CID 99585754) is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea is C[C@@H](NC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccccn1.
What is the InChIKey of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is QMWLKHGKNDQJRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10(13-4-2-3-7-19-13)20-17(24)22-15-8-11-5-6-16(23)21-14(11)9-12(15)18/h2-4,7-10H,5-6H2,1H3,(H,21,23)(H2,20,22,24)/t10-/m1/s1.
What are the key properties of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 328.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 99585754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).