1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C23H24FN3O2 — CID 1467407

IUPAC1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c(=O)[nH]c12
InChIInChI=1S/C23H24FN3O2/c1-15-7-6-8-16-13-17(22(28)26-21(15)16)14-27(18-9-2-3-10-18)23(29)25-20-12-5-4-11-19(20)24/h4-8,11-13,18H,2-3,9-10,14H2,1H3,(H,25,29)(H,26,28)
InChIKeyDSEGHXWXQIRZKH-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.95
Rot. Bonds4

About 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1467407) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1467407
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c(=O)[nH]c12
InChIInChI=1S/C23H24FN3O2/c1-15-7-6-8-16-13-17(22(28)26-21(15)16)14-27(18-9-2-3-10-18)23(29)25-20-12-5-4-11-19(20)24/h4-8,11-13,18H,2-3,9-10,14H2,1H3,(H,25,29)(H,26,28)
InChIKeyDSEGHXWXQIRZKH-UHFFFAOYSA-N
XLogP4.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064
3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 23824039
3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467501
N-cyclopentyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3725789
N-cyclopentyl-3-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1445613
3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449416
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1462812
1-cyclopentyl-3-[3-(dimethylamino)propyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3169907
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
CID 4005326
1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1157155
1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea
CID 1467563
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(3-hydroxypropyl)urea
CID 3194560

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1467407) is 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c(=O)[nH]c12.
What is the InChIKey of 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is DSEGHXWXQIRZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15-7-6-8-16-13-17(22(28)26-21(15)16)14-27(18-9-2-3-10-18)23(29)25-20-12-5-4-11-19(20)24/h4-8,11-13,18H,2-3,9-10,14H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 393.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1467407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).