2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C25H19N5O3 — CID 71241961

IUPAC2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2c1=O
InChIInChI=1S/C25H19N5O3/c1-30-14-29-21-10-15(6-7-19(21)25(30)32)16-11-20-17(4-2-8-27-20)23(12-16)33-13-22-18(24(26)31)5-3-9-28-22/h2-12,14H,13H2,1H3,(H2,26,31)
InChIKeyOERCTYFZFZUDFR-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.22
Rot. Bonds5

About 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241961) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241961
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2c1=O
InChIInChI=1S/C25H19N5O3/c1-30-14-29-21-10-15(6-7-19(21)25(30)32)16-11-20-17(4-2-8-27-20)23(12-16)33-13-22-18(24(26)31)5-3-9-28-22/h2-12,14H,13H2,1H3,(H2,26,31)
InChIKeyOERCTYFZFZUDFR-UHFFFAOYSA-N
XLogP3.22
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241961) is 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is Cn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2c1=O.
What is the InChIKey of 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is OERCTYFZFZUDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c1-30-14-29-21-10-15(6-7-19(21)25(30)32)16-11-20-17(4-2-8-27-20)23(12-16)33-13-22-18(24(26)31)5-3-9-28-22/h2-12,14H,13H2,1H3,(H2,26,31).
What are the key properties of 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).