1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea

C24H28N4O — CID 46288431

IUPAC1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
SMILESCc1ccc(CNC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1
InChIInChI=1S/C24H28N4O/c1-17-6-8-19(9-7-17)16-25-24(29)26-20-10-11-22-21(15-20)18(2)14-23(27-22)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,25,26,29)
InChIKeyISZKLMIRDCGLMN-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.16
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea

1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea (PubChem CID 46288431) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
PubChem CID46288431
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
SMILESCc1ccc(CNC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1
InChIInChI=1S/C24H28N4O/c1-17-6-8-19(9-7-17)16-25-24(29)26-20-10-11-22-21(15-20)18(2)14-23(27-22)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,25,26,29)
InChIKeyISZKLMIRDCGLMN-UHFFFAOYSA-N
XLogP5.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 6621736
1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288414
1-(2-methoxyethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 12005440
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide
CID 22427695
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-[(4-methylphenyl)methyl]urea
CID 53110725
1-(3-ethoxypropyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 12005271
1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 46251268
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473
1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 45489217
1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 46280031
N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
CID 22334469
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea (CID 46288431) is 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea is Cc1ccc(CNC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
The InChIKey is ISZKLMIRDCGLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-6-8-19(9-7-17)16-25-24(29)26-20-10-11-22-21(15-20)18(2)14-23(27-22)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea has a molecular weight of 388.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea is sourced from PubChem (CID 46288431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).