2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one

C20H21N3O — CID 156870380

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
SMILESCCc1ccc2nc(CN3CCCc4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C20H21N3O/c1-2-14-9-10-17-16(12-14)20(24)22-19(21-17)13-23-11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,21,22,24)
InChIKeyNFGAIAFQEHCQOZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.44
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one (PubChem CID 156870380) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
PubChem CID156870380
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
SMILESCCc1ccc2nc(CN3CCCc4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C20H21N3O/c1-2-14-9-10-17-16(12-14)20(24)22-19(21-17)13-23-11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,21,22,24)
InChIKeyNFGAIAFQEHCQOZ-UHFFFAOYSA-N
XLogP3.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one with MolForge

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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-methoxy-3H-quinazolin-4-one
CID 166771395
[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine
CID 142258246
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2516001
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
CID 39104953
2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135980503
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one
CID 135570401
2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile
CID 17415962
2-(2,3-dihydroindol-1-ylmethyl)-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135879234
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 66716822

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one (CID 156870380) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one is CCc1ccc2nc(CN3CCCc4ccccc43)[nH]c(=O)c2c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one?
The InChIKey is NFGAIAFQEHCQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-14-9-10-17-16(12-14)20(24)22-19(21-17)13-23-11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,21,22,24).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one is sourced from PubChem (CID 156870380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).