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

C23H21N7O2 — CID 66763617

IUPAC4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C5CC5)[nH]n4)c3)ncnc12
InChIInChI=1S/C23H21N7O2/c24-21(31)16-5-2-6-17-20(16)26-12-27-22(17)25-11-13-3-1-4-15(9-13)28-23(32)19-10-18(29-30-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
InChIKeyQJMIUPZFDRLJHJ-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.19
Rot. Bonds7

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

4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763617) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763617
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C5CC5)[nH]n4)c3)ncnc12
InChIInChI=1S/C23H21N7O2/c24-21(31)16-5-2-6-17-20(16)26-12-27-22(17)25-11-13-3-1-4-15(9-13)28-23(32)19-10-18(29-30-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
InChIKeyQJMIUPZFDRLJHJ-UHFFFAOYSA-N
XLogP3.19
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763617) is 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C5CC5)[nH]n4)c3)ncnc12.
What is the InChIKey of 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is QJMIUPZFDRLJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c24-21(31)16-5-2-6-17-20(16)26-12-27-22(17)25-11-13-3-1-4-15(9-13)28-23(32)19-10-18(29-30-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27).
What are the key properties of 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).