N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C21H26N4O2 — CID 71836077

IUPACN-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCc1cccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)c1
InChIInChI=1S/C21H26N4O2/c1-2-15-4-3-5-18(12-15)23-20(26)16-6-7-19-17(13-16)14-22-21(24-19)25-8-10-27-11-9-25/h3-5,12,14,16H,2,6-11,13H2,1H3,(H,23,26)
InChIKeyAHADESBUHOJUQI-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.62
Rot. Bonds4

About N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71836077) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71836077
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCc1cccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)c1
InChIInChI=1S/C21H26N4O2/c1-2-15-4-3-5-18(12-15)23-20(26)16-6-7-19-17(13-16)14-22-21(24-19)25-8-10-27-11-9-25/h3-5,12,14,16H,2,6-11,13H2,1H3,(H,23,26)
InChIKeyAHADESBUHOJUQI-UHFFFAOYSA-N
XLogP2.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-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

ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate
CID 53193985
N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193997
(6R)-N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112148
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836063
(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112147
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111922
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112093
(6S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129423087
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71836077) is N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCc1cccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is AHADESBUHOJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-15-4-3-5-18(12-15)23-20(26)16-6-7-19-17(13-16)14-22-21(24-19)25-8-10-27-11-9-25/h3-5,12,14,16H,2,6-11,13H2,1H3,(H,23,26).
What are the key properties of N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71836077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).