6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one

C20H21N3O2 — CID 161351143

IUPAC6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one
SMILESCOc1ccc2nc(CN3CCCCc4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C20H21N3O2/c1-25-15-9-10-17-16(12-15)20(24)22-19(21-17)13-23-11-5-4-7-14-6-2-3-8-18(14)23/h2-3,6,8-10,12H,4-5,7,11,13H2,1H3,(H,21,22,24)
InChIKeyVNYCATJYCBRZHQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.27
Rot. Bonds3

About 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one

6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one (PubChem CID 161351143) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one
PubChem CID161351143
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one
SMILESCOc1ccc2nc(CN3CCCCc4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C20H21N3O2/c1-25-15-9-10-17-16(12-15)20(24)22-19(21-17)13-23-11-5-4-7-14-6-2-3-8-18(14)23/h2-3,6,8-10,12H,4-5,7,11,13H2,1H3,(H,21,22,24)
InChIKeyVNYCATJYCBRZHQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one
CID 166771395
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
CID 156870380
2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one
CID 156870375
6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one
CID 166771415
2-(2,3-dihydroindol-1-ylmethyl)-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135879234
[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine
CID 142258246
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2516001
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one (CID 161351143) is 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one is COc1ccc2nc(CN3CCCCc4ccccc43)[nH]c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one?
The InChIKey is VNYCATJYCBRZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-15-9-10-17-16(12-15)20(24)22-19(21-17)13-23-11-5-4-7-14-6-2-3-8-18(14)23/h2-3,6,8-10,12H,4-5,7,11,13H2,1H3,(H,21,22,24).
What are the key properties of 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one?
6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one has a molecular weight of 335.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 161351143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).