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

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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).