N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide

C21H20N6O — CID 10156128

IUPACN-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide
SMILESCNC(=O)c1ccc2c(Nc3cc(C)[nH]n3)nc(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C21H20N6O/c1-12-5-4-6-14(9-12)19-23-17-11-15(21(28)22-3)7-8-16(17)20(25-19)24-18-10-13(2)26-27-18/h4-11H,1-3H3,(H,22,28)(H2,23,24,25,26,27)
InChIKeyCHCBJYUTVQKVJR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.74
Rot. Bonds4

About N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide

N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide (PubChem CID 10156128) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide
PubChem CID10156128
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide
SMILESCNC(=O)c1ccc2c(Nc3cc(C)[nH]n3)nc(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C21H20N6O/c1-12-5-4-6-14(9-12)19-23-17-11-15(21(28)22-3)7-8-16(17)20(25-19)24-18-10-13(2)26-27-18/h4-11H,1-3H3,(H,22,28)(H2,23,24,25,26,27)
InChIKeyCHCBJYUTVQKVJR-UHFFFAOYSA-N
XLogP3.74
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide?
The IUPAC name of N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide (CID 10156128) is N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide is CNC(=O)c1ccc2c(Nc3cc(C)[nH]n3)nc(-c3cccc(C)c3)nc2c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide?
The InChIKey is CHCBJYUTVQKVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-12-5-4-6-14(9-12)19-23-17-11-15(21(28)22-3)7-8-16(17)20(25-19)24-18-10-13(2)26-27-18/h4-11H,1-3H3,(H,22,28)(H2,23,24,25,26,27).
What are the key properties of N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide?
N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide is sourced from PubChem (CID 10156128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).