1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea

C24H22N4O2 — CID 86864428

IUPAC1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)NCc1cccc2cccnc12
InChIInChI=1S/C24H22N4O2/c29-24(28-16-21-9-4-8-20-10-5-12-26-23(20)21)27-15-19-11-13-25-22(14-19)30-17-18-6-2-1-3-7-18/h1-14H,15-17H2,(H2,27,28,29)
InChIKeyOIGRCCHREBLCEG-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.21
Rot. Bonds7

About 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea

1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea (PubChem CID 86864428) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea
PubChem CID86864428
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)NCc1cccc2cccnc12
InChIInChI=1S/C24H22N4O2/c29-24(28-16-21-9-4-8-20-10-5-12-26-23(20)21)27-15-19-11-13-25-22(14-19)30-17-18-6-2-1-3-7-18/h1-14H,15-17H2,(H2,27,28,29)
InChIKeyOIGRCCHREBLCEG-UHFFFAOYSA-N
XLogP4.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 110908784
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026
2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707046
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 86995980
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea (CID 86864428) is 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea is O=C(NCc1ccnc(OCc2ccccc2)c1)NCc1cccc2cccnc12.
What is the InChIKey of 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea?
The InChIKey is OIGRCCHREBLCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(28-16-21-9-4-8-20-10-5-12-26-23(20)21)27-15-19-11-13-25-22(14-19)30-17-18-6-2-1-3-7-18/h1-14H,15-17H2,(H2,27,28,29).
What are the key properties of 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea?
1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea has a molecular weight of 398.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 86864428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).