(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C24H20N4O — CID 40799745

IUPAC(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2CN1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H20N4O/c25-22(29)21-14-17-10-4-5-11-18(17)15-28(21)24-19-12-6-7-13-20(19)26-23(27-24)16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H2,25,29)/t21-/m1/s1
InChIKeyITVXAOHHANAKFT-OAQYLSRUSA-N
MW380.45 g/mol
LogP3.71
Rot. Bonds3

About (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 40799745) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID40799745
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2CN1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H20N4O/c25-22(29)21-14-17-10-4-5-11-18(17)15-28(21)24-19-12-6-7-13-20(19)26-23(27-24)16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H2,25,29)/t21-/m1/s1
InChIKeyITVXAOHHANAKFT-OAQYLSRUSA-N
XLogP3.71
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 40799745) is (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)[C@H]1Cc2ccccc2CN1c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is ITVXAOHHANAKFT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20N4O/c25-22(29)21-14-17-10-4-5-11-18(17)15-28(21)24-19-12-6-7-13-20(19)26-23(27-24)16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H2,25,29)/t21-/m1/s1.
What are the key properties of (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 40799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).