4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

C23H23N7O2 — CID 66763777

IUPAC4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)n[nH]1
InChIInChI=1S/C23H23N7O2/c1-13(2)18-10-19(30-29-18)23(32)28-15-6-3-5-14(9-15)11-25-22-17-8-4-7-16(21(24)31)20(17)26-12-27-22/h3-10,12-13H,11H2,1-2H3,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
InChIKeyJMSLGFQQYRJYBH-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.44
Rot. Bonds7

About 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763777) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763777
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)n[nH]1
InChIInChI=1S/C23H23N7O2/c1-13(2)18-10-19(30-29-18)23(32)28-15-6-3-5-14(9-15)11-25-22-17-8-4-7-16(21(24)31)20(17)26-12-27-22/h3-10,12-13H,11H2,1-2H3,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
InChIKeyJMSLGFQQYRJYBH-UHFFFAOYSA-N
XLogP3.44
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(5-propan-2-yl-1H-pyrazole-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-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763777) is 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)n[nH]1.
What is the InChIKey of 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is JMSLGFQQYRJYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-13(2)18-10-19(30-29-18)23(32)28-15-6-3-5-14(9-15)11-25-22-17-8-4-7-16(21(24)31)20(17)26-12-27-22/h3-10,12-13H,11H2,1-2H3,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27).
What are the key properties of 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).