2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one

C18H17N3O2 — CID 166771395

IUPAC2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(CN3CCc4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C18H17N3O2/c1-23-13-6-7-15-14(10-13)18(22)20-17(19-15)11-21-9-8-12-4-2-3-5-16(12)21/h2-7,10H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyPXPDJYUMHSNKRQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.49
Rot. Bonds3

About 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one

2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one (PubChem CID 166771395) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one
PubChem CID166771395
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(CN3CCc4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C18H17N3O2/c1-23-13-6-7-15-14(10-13)18(22)20-17(19-15)11-21-9-8-12-4-2-3-5-16(12)21/h2-7,10H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyPXPDJYUMHSNKRQ-UHFFFAOYSA-N
XLogP2.49
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one
CID 161351143
2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one
CID 156870375
2-(2,3-dihydroindol-1-ylmethyl)-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135879234
6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one
CID 166771415
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
CID 156870380
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965547
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one
CID 135570401
6,7-dimethoxy-2-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3H-quinazolin-4-one
CID 166224088
3-[(6-methoxy-4-oxo-3H-quinazolin-2-yl)methoxy]benzonitrile
CID 156870480

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one (CID 166771395) is 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one is COc1ccc2nc(CN3CCc4ccccc43)[nH]c(=O)c2c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one?
The InChIKey is PXPDJYUMHSNKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-13-6-7-15-14(10-13)18(22)20-17(19-15)11-21-9-8-12-4-2-3-5-16(12)21/h2-7,10H,8-9,11H2,1H3,(H,19,20,22).
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one?
2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one has a molecular weight of 307.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 166771395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).