4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide

C23H20N8O — CID 66762810

IUPAC4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCc1nc2c(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)nccc2[nH]1
InChIInChI=1S/C23H20N8O/c1-13-29-18-8-9-25-23(20(18)30-13)31-15-5-2-4-14(10-15)11-26-22-17-7-3-6-16(21(24)32)19(17)27-12-28-22/h2-10,12H,11H2,1H3,(H2,24,32)(H,25,31)(H,29,30)(H,26,27,28)
InChIKeyFNFNFQPDKWQWMU-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.66
Rot. Bonds6

About 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66762810) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66762810
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCc1nc2c(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)nccc2[nH]1
InChIInChI=1S/C23H20N8O/c1-13-29-18-8-9-25-23(20(18)30-13)31-15-5-2-4-14(10-15)11-26-22-17-7-3-6-16(21(24)32)19(17)27-12-28-22/h2-10,12H,11H2,1H3,(H2,24,32)(H,25,31)(H,29,30)(H,26,27,28)
InChIKeyFNFNFQPDKWQWMU-UHFFFAOYSA-N
XLogP3.66
TPSA134.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66762810) is 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide is Cc1nc2c(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)nccc2[nH]1.
What is the InChIKey of 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is FNFNFQPDKWQWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-13-29-18-8-9-25-23(20(18)30-13)31-15-5-2-4-14(10-15)11-26-22-17-7-3-6-16(21(24)32)19(17)27-12-28-22/h2-10,12H,11H2,1H3,(H2,24,32)(H,25,31)(H,29,30)(H,26,27,28).
What are the key properties of 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).