1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea

C20H21N5O3 — CID 162661122

IUPAC1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESO=C(Nc1ccc(CO)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H21N5O3/c26-13-14-5-7-15(8-6-14)21-20(27)24-19-22-17-4-2-1-3-16(17)18(23-19)25-9-11-28-12-10-25/h1-8,26H,9-13H2,(H2,21,22,23,24,27)
InChIKeyRPMQPEMPUKTYEW-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.60
Rot. Bonds4

About 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea

1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea (PubChem CID 162661122) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea
PubChem CID162661122
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESO=C(Nc1ccc(CO)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H21N5O3/c26-13-14-5-7-15(8-6-14)21-20(27)24-19-22-17-4-2-1-3-16(17)18(23-19)25-9-11-28-12-10-25/h1-8,26H,9-13H2,(H2,21,22,23,24,27)
InChIKeyRPMQPEMPUKTYEW-UHFFFAOYSA-N
XLogP2.60
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea (CID 162661122) is 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea is O=C(Nc1ccc(CO)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The InChIKey is RPMQPEMPUKTYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-13-14-5-7-15(8-6-14)21-20(27)24-19-22-17-4-2-1-3-16(17)18(23-19)25-9-11-28-12-10-25/h1-8,26H,9-13H2,(H2,21,22,23,24,27).
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea has a molecular weight of 379.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea is sourced from PubChem (CID 162661122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).