4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide

C21H22N4O2 — CID 53012870

IUPAC4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C21H22N4O2/c26-21(22-11-10-16-6-2-1-3-7-16)19-23-18-9-5-4-8-17(18)20(24-19)25-12-14-27-15-13-25/h1-9H,10-15H2,(H,22,26)
InChIKeyDHADYIXHTYAWKW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.44
Rot. Bonds5

About 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide

4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide (PubChem CID 53012870) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide
PubChem CID53012870
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C21H22N4O2/c26-21(22-11-10-16-6-2-1-3-7-16)19-23-18-9-5-4-8-17(18)20(24-19)25-12-14-27-15-13-25/h1-9H,10-15H2,(H,22,26)
InChIKeyDHADYIXHTYAWKW-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide 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-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108053
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
CID 53012888
4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide
CID 153158267
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide
CID 46349736
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide
CID 50787727
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
CID 146610079
N-(2-morpholin-4-ylethyl)-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881023
N-[(4-ethylphenyl)methyl]-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108091

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide (CID 53012870) is 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide is O=C(NCCc1ccccc1)c1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide?
The InChIKey is DHADYIXHTYAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(22-11-10-16-6-2-1-3-7-16)19-23-18-9-5-4-8-17(18)20(24-19)25-12-14-27-15-13-25/h1-9H,10-15H2,(H,22,26).
What are the key properties of 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide?
4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide is sourced from PubChem (CID 53012870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).