N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C32H29N5O — CID 54583559

IUPACN-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cnc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C32H29N5O/c1-3-22-10-8-12-25(17-22)34-32(38)37-16-15-29-27(20-37)30(26-13-6-4-9-21(26)2)36-31(35-29)24-18-23-11-5-7-14-28(23)33-19-24/h4-14,17-19H,3,15-16,20H2,1-2H3,(H,34,38)
InChIKeyQZSILTRQHXJPOI-UHFFFAOYSA-N
MW499.62 g/mol
LogP6.82
Rot. Bonds4

About N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54583559) has the molecular formula C32H29N5O and a molecular weight of 499.62 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54583559
Molecular FormulaC32H29N5O
Molecular Weight499.62 g/mol
Exact Mass499.24
IUPAC NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cnc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C32H29N5O/c1-3-22-10-8-12-25(17-22)34-32(38)37-16-15-29-27(20-37)30(26-13-6-4-9-21(26)2)36-31(35-29)24-18-23-11-5-7-14-28(23)33-19-24/h4-14,17-19H,3,15-16,20H2,1-2H3,(H,34,38)
InChIKeyQZSILTRQHXJPOI-UHFFFAOYSA-N
XLogP6.82
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54583559) is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4cnc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is QZSILTRQHXJPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O/c1-3-22-10-8-12-25(17-22)34-32(38)37-16-15-29-27(20-37)30(26-13-6-4-9-21(26)2)36-31(35-29)24-18-23-11-5-7-14-28(23)33-19-24/h4-14,17-19H,3,15-16,20H2,1-2H3,(H,34,38).
What are the key properties of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54583559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).