4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide

C18H18N4O2 — CID 77228144

IUPAC4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
SMILESCOCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-10-15(12-6-3-2-4-7-12)22-18-14-9-5-8-13(17(19)23)16(14)20-11-21-18/h2-9,11,15H,10H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyZJXWWGHDOHRWOE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.53
Rot. Bonds6

About 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide

4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide (PubChem CID 77228144) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
PubChem CID77228144
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
SMILESCOCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-10-15(12-6-3-2-4-7-12)22-18-14-9-5-8-13(17(19)23)16(14)20-11-21-18/h2-9,11,15H,10H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyZJXWWGHDOHRWOE-UHFFFAOYSA-N
XLogP2.53
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-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

4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate
CID 90908057
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 66763023
4-[[(1R)-2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140638523
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[(3-amino-1-phenylpropyl)amino]quinazoline-8-carboxamide;benzyl N-[(3R)-3-[(8-carbamoylquinazolin-4-yl)amino]-3-phenylpropyl]carbamate
CID 160501806
4-[[1-[3-[(2,3-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763379
4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140576306
4-[[1-[3-[(2,4-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46868957
5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 46869641
4-[[2-(azetidin-1-yl)-1-(4-bromophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 77362138
4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide
CID 66763084

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide (CID 77228144) is 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide is COCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1.
What is the InChIKey of 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide?
The InChIKey is ZJXWWGHDOHRWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-10-15(12-6-3-2-4-7-12)22-18-14-9-5-8-13(17(19)23)16(14)20-11-21-18/h2-9,11,15H,10H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide?
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide is sourced from PubChem (CID 77228144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).