3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C23H27N3O3 — CID 650246

IUPAC3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C23H27N3O3/c1-16-7-5-8-17-13-18(22(27)25-21(16)17)14-26(15-20-11-6-12-29-20)23(28)24-19-9-3-2-4-10-19/h5-8,11-13,19H,2-4,9-10,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyBNRHPRKJDADTPB-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.47
Rot. Bonds5

About 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 650246) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID650246
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C23H27N3O3/c1-16-7-5-8-17-13-18(22(27)25-21(16)17)14-26(15-20-11-6-12-29-20)23(28)24-19-9-3-2-4-10-19/h5-8,11-13,19H,2-4,9-10,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyBNRHPRKJDADTPB-UHFFFAOYSA-N
XLogP4.47
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Related Compounds

Furalaxyl
CID 42504
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409083
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
N-(2-furylmethyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
CID 54683810
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
N-(2-furylmethyl)-N'-[4-(4-morpholinylcarbonyl)phenyl]thiourea
CID 970217
N-(2-furylmethyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 2265927
1-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2815709
1-(2,4-Dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826692
1-Ethyl-4-(furan-2-ylmethylamino)-3-nitroquinolin-2-one
CID 3527462

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 650246) is 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is BNRHPRKJDADTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-7-5-8-17-13-18(22(27)25-21(16)17)14-26(15-20-11-6-12-29-20)23(28)24-19-9-3-2-4-10-19/h5-8,11-13,19H,2-4,9-10,14-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 393.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 650246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).