4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide

C25H24N6O3 — CID 46868887

IUPAC4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
SMILESCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)nc2)c1
InChIInChI=1S/C25H24N6O3/c1-3-20(31-24-19-9-5-8-18(23(26)32)22(19)28-14-29-24)15-6-4-7-17(12-15)30-25(33)16-10-11-21(34-2)27-13-16/h4-14,20H,3H2,1-2H3,(H2,26,32)(H,30,33)(H,28,29,31)
InChIKeyPOBKWGYBFDTZBY-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.95
Rot. Bonds8

About 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide

4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide (PubChem CID 46868887) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
PubChem CID46868887
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
SMILESCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)nc2)c1
InChIInChI=1S/C25H24N6O3/c1-3-20(31-24-19-9-5-8-18(23(26)32)22(19)28-14-29-24)15-6-4-7-17(12-15)30-25(33)16-10-11-21(34-2)27-13-16/h4-14,20H,3H2,1-2H3,(H2,26,32)(H,30,33)(H,28,29,31)
InChIKeyPOBKWGYBFDTZBY-UHFFFAOYSA-N
XLogP3.95
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide (CID 46868887) is 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide is CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)nc2)c1.
What is the InChIKey of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide?
The InChIKey is POBKWGYBFDTZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-3-20(31-24-19-9-5-8-18(23(26)32)22(19)28-14-29-24)15-6-4-7-17(12-15)30-25(33)16-10-11-21(34-2)27-13-16/h4-14,20H,3H2,1-2H3,(H2,26,32)(H,30,33)(H,28,29,31).
What are the key properties of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide?
4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 46868887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).