7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one

C21H21N3O2 — CID 155954274

IUPAC7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one
SMILESCC(C)C1c2ccccc2CCN1C(=O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C21H21N3O2/c1-13(2)19-16-6-4-3-5-14(16)9-10-24(19)21(26)15-7-8-17-18(11-15)22-12-23-20(17)25/h3-8,11-13,19H,9-10H2,1-2H3,(H,22,23,25)
InChIKeyYDFRFPOBAMVGMT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.32
Rot. Bonds2

About 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one

7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one (PubChem CID 155954274) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one
PubChem CID155954274
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one
SMILESCC(C)C1c2ccccc2CCN1C(=O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C21H21N3O2/c1-13(2)19-16-6-4-3-5-14(16)9-10-24(19)21(26)15-7-8-17-18(11-15)22-12-23-20(17)25/h3-8,11-13,19H,9-10H2,1-2H3,(H,22,23,25)
InChIKeyYDFRFPOBAMVGMT-UHFFFAOYSA-N
XLogP3.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one with MolForge

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Related Compounds

(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110288878
N,N-dimethyl-4-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 110288886
7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
CID 155954004
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976
ethyl 1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10106025
7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953985
7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
CID 136559134
[(4aS,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 52933602
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136756966
4-[(1S)-1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyridin-2-one
CID 97248519
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
3-methylsulfonyl-1-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110628080

Frequently Asked Questions

What is the IUPAC name of 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one (CID 155954274) is 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one is CC(C)C1c2ccccc2CCN1C(=O)c1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one?
The InChIKey is YDFRFPOBAMVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)19-16-6-4-3-5-14(16)9-10-24(19)21(26)15-7-8-17-18(11-15)22-12-23-20(17)25/h3-8,11-13,19H,9-10H2,1-2H3,(H,22,23,25).
What are the key properties of 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one?
7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 155954274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).