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

C23H20N6O3 — CID 66763406

IUPAC4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C23H20N6O3/c1-32-19-9-8-15(12-25-19)23(31)29-16-5-2-4-14(10-16)11-26-22-18-7-3-6-17(21(24)30)20(18)27-13-28-22/h2-10,12-13H,11H2,1H3,(H2,24,30)(H,29,31)(H,26,27,28)
InChIKeyCWBIOTBDHJUHCV-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.00
Rot. Bonds7

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

4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763406) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763406
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C23H20N6O3/c1-32-19-9-8-15(12-25-19)23(31)29-16-5-2-4-14(10-16)11-26-22-18-7-3-6-17(21(24)30)20(18)27-13-28-22/h2-10,12-13H,11H2,1H3,(H2,24,30)(H,29,31)(H,26,27,28)
InChIKeyCWBIOTBDHJUHCV-UHFFFAOYSA-N
XLogP3.00
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]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-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763406) is 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1.
What is the InChIKey of 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is CWBIOTBDHJUHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-32-19-9-8-15(12-25-19)23(31)29-16-5-2-4-14(10-16)11-26-22-18-7-3-6-17(21(24)30)20(18)27-13-28-22/h2-10,12-13H,11H2,1H3,(H2,24,30)(H,29,31)(H,26,27,28).
What are the key properties of 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).