2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C17H21N3O2 — CID 136780121

IUPAC2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccc(C(C)Nc2nc3c(c(=O)[nH]2)CCCC3)cc1
InChIInChI=1S/C17H21N3O2/c1-11(12-7-9-13(22-2)10-8-12)18-17-19-15-6-4-3-5-14(15)16(21)20-17/h7-11H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyLZIZNNJDZOAQOH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136780121) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136780121
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccc(C(C)Nc2nc3c(c(=O)[nH]2)CCCC3)cc1
InChIInChI=1S/C17H21N3O2/c1-11(12-7-9-13(22-2)10-8-12)18-17-19-15-6-4-3-5-14(15)16(21)20-17/h7-11H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyLZIZNNJDZOAQOH-UHFFFAOYSA-N
XLogP2.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517
4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81370327
2-(4-phenoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779052
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135995422
2-(4-ethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611961
2-(3-fluoro-4-methoxyanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741489
2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611964
N-[1-(4-methoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562813
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136780121) is 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is COc1ccc(C(C)Nc2nc3c(c(=O)[nH]2)CCCC3)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is LZIZNNJDZOAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(12-7-9-13(22-2)10-8-12)18-17-19-15-6-4-3-5-14(15)16(21)20-17/h7-11H,3-6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 299.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136780121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).