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

C25H25N7O3 — CID 46869031

IUPAC4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCN(CCO)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
InChIInChI=1S/C25H25N7O3/c1-32(10-11-33)21-13-17(8-9-27-21)25(35)31-18-5-2-4-16(12-18)14-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12-13,15,33H,10-11,14H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30)
InChIKeyFTLGJGCPUAMLIH-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.42
Rot. Bonds9

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

4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 46869031) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID46869031
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCN(CCO)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
InChIInChI=1S/C25H25N7O3/c1-32(10-11-33)21-13-17(8-9-27-21)25(35)31-18-5-2-4-16(12-18)14-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12-13,15,33H,10-11,14H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30)
InChIKeyFTLGJGCPUAMLIH-UHFFFAOYSA-N
XLogP2.42
TPSA146.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide with MolForge

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Related Compounds

Jnk-IN-7
CID 57340685
Jnk-IN-8
CID 57340686
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
VX-984
CID 72188357
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
CID 24891645
Jnk-IN-5
CID 57340683
Jnk-IN-10
CID 57340688
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086114

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 46869031) is 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is CN(CCO)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1.
What is the InChIKey of 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is FTLGJGCPUAMLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-32(10-11-33)21-13-17(8-9-27-21)25(35)31-18-5-2-4-16(12-18)14-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12-13,15,33H,10-11,14H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30).
What are the key properties of 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 2.42, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[2-[2-hydroxyethyl(methyl)amino]pyridine-4-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).