2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C16H19N3O — CID 135611964

IUPAC2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1cccc(Nc2nc3c(c(=O)[nH]2)CCCC3)c1C
InChIInChI=1S/C16H19N3O/c1-10-6-5-9-13(11(10)2)17-16-18-14-8-4-3-7-12(14)15(20)19-16/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeySRYCTRNKYVHRIG-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.01
Rot. Bonds2

About 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135611964) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135611964
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1cccc(Nc2nc3c(c(=O)[nH]2)CCCC3)c1C
InChIInChI=1S/C16H19N3O/c1-10-6-5-9-13(11(10)2)17-16-18-14-8-4-3-7-12(14)15(20)19-16/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeySRYCTRNKYVHRIG-UHFFFAOYSA-N
XLogP3.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611977
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611951
2-(3-chloro-2-fluoroanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136741513
2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135633218
2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611958
2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741463
2-(3-bromoanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611937
2-[4-(diethylamino)-2-methylanilino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779228
2-(4-ethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611961
2-(5-chloro-2-fluoroanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741476
2-[3-(dimethylamino)anilino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136780088
2-(4-phenoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779052

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135611964) is 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Cc1cccc(Nc2nc3c(c(=O)[nH]2)CCCC3)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SRYCTRNKYVHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-6-5-9-13(11(10)2)17-16-18-14-8-4-3-7-12(14)15(20)19-16/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 269.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135611964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).