1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one

C24H20N4O2 — CID 95808570

IUPAC1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one
SMILESCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2nccc3ccccc23)CC1
InChIInChI=1S/C24H20N4O2/c1-16-26-23(29)20-8-4-5-9-21(20)28(16)18-11-14-27(15-12-18)24(30)22-19-7-3-2-6-17(19)10-13-25-22/h2-11,13H,12,14-15H2,1H3
InChIKeyUOYCSRXBRXJYKN-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.64
Rot. Bonds2

About 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one

1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one (PubChem CID 95808570) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one
PubChem CID95808570
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one
SMILESCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2nccc3ccccc23)CC1
InChIInChI=1S/C24H20N4O2/c1-16-26-23(29)20-8-4-5-9-21(20)28(16)18-11-14-27(15-12-18)24(30)22-19-7-3-2-6-17(19)10-13-25-22/h2-11,13H,12,14-15H2,1H3
InChIKeyUOYCSRXBRXJYKN-UHFFFAOYSA-N
XLogP3.64
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one?
The IUPAC name of 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one (CID 95808570) is 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one.
What is the SMILES notation for 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one?
The canonical SMILES for 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one is Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2nccc3ccccc23)CC1.
What is the InChIKey of 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one?
The InChIKey is UOYCSRXBRXJYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16-26-23(29)20-8-4-5-9-21(20)28(16)18-11-14-27(15-12-18)24(30)22-19-7-3-2-6-17(19)10-13-25-22/h2-11,13H,12,14-15H2,1H3.
What are the key properties of 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one?
1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one has a molecular weight of 396.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(isoquinoline-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylquinazolin-4-one is sourced from PubChem (CID 95808570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).