N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide

C24H22N4O3 — CID 44754231

IUPACN-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide
SMILESCCc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1cccc(OC)c1
InChIInChI=1S/C24H22N4O3/c1-3-22-27-21-8-7-18(26-23(29)17-9-11-25-12-10-17)14-20(21)24(30)28(22)15-16-5-4-6-19(13-16)31-2/h4-14H,3,15H2,1-2H3,(H,26,29)
InChIKeyCZKWXVOSEFJZFY-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.66
Rot. Bonds6

About N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide

N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide (PubChem CID 44754231) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide
PubChem CID44754231
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide
SMILESCCc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1cccc(OC)c1
InChIInChI=1S/C24H22N4O3/c1-3-22-27-21-8-7-18(26-23(29)17-9-11-25-12-10-17)14-20(21)24(30)28(22)15-16-5-4-6-19(13-16)31-2/h4-14H,3,15H2,1-2H3,(H,26,29)
InChIKeyCZKWXVOSEFJZFY-UHFFFAOYSA-N
XLogP3.66
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide (CID 44754231) is N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide is CCc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1cccc(OC)c1.
What is the InChIKey of N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide?
The InChIKey is CZKWXVOSEFJZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-3-22-27-21-8-7-18(26-23(29)17-9-11-25-12-10-17)14-20(21)24(30)28(22)15-16-5-4-6-19(13-16)31-2/h4-14H,3,15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide?
N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 44754231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).