4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

C26H27N7O3 — CID 66763531

IUPAC4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOCCN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C26H27N7O3/c1-33(11-12-36-2)22-10-9-18(15-28-22)26(35)32-19-6-3-5-17(13-19)14-29-25-21-8-4-7-20(24(27)34)23(21)30-16-31-25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H2,27,34)(H,32,35)(H,29,30,31)
InChIKeyTXCWDJYJHQBALS-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.07
Rot. Bonds10

About 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763531) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763531
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOCCN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C26H27N7O3/c1-33(11-12-36-2)22-10-9-18(15-28-22)26(35)32-19-6-3-5-17(13-19)14-29-25-21-8-4-7-20(24(27)34)23(21)30-16-31-25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H2,27,34)(H,32,35)(H,29,30,31)
InChIKeyTXCWDJYJHQBALS-UHFFFAOYSA-N
XLogP3.07
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-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-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763531) is 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is COCCN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1.
What is the InChIKey of 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is TXCWDJYJHQBALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-33(11-12-36-2)22-10-9-18(15-28-22)26(35)32-19-6-3-5-17(13-19)14-29-25-21-8-4-7-20(24(27)34)23(21)30-16-31-25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H2,27,34)(H,32,35)(H,29,30,31).
What are the key properties of 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-[2-methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).