2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C24H23N3O — CID 4563710

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1
InChIInChI=1S/C24H23N3O/c1-16-6-8-18(9-7-16)20-12-22-21(23(28)13-20)14-25-24(26-22)27-11-10-17-4-2-3-5-19(17)15-27/h2-9,14,20H,10-13,15H2,1H3
InChIKeyAEKWYFFLXFCONP-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds2

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4563710) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4563710
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1
InChIInChI=1S/C24H23N3O/c1-16-6-8-18(9-7-16)20-12-22-21(23(28)13-20)14-25-24(26-22)27-11-10-17-4-2-3-5-19(17)15-27/h2-9,14,20H,10-13,15H2,1H3
InChIKeyAEKWYFFLXFCONP-UHFFFAOYSA-N
XLogP4.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 665345
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CID 665688
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CID 2986465
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CID 44325025
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CID 663648
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 4563710) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is AEKWYFFLXFCONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-16-6-8-18(9-7-16)20-12-22-21(23(28)13-20)14-25-24(26-22)27-11-10-17-4-2-3-5-19(17)15-27/h2-9,14,20H,10-13,15H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 369.47 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4563710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).