1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid

C22H21N5O2 — CID 66747592

IUPAC1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESCCN(C)c1nc(-n2cc(C(=O)O)cn2)nc2ccc(-c3ccccc3C)cc12
InChIInChI=1S/C22H21N5O2/c1-4-26(3)20-18-11-15(17-8-6-5-7-14(17)2)9-10-19(18)24-22(25-20)27-13-16(12-23-27)21(28)29/h5-13H,4H2,1-3H3,(H,28,29)
InChIKeyDVQNNHLKKORHEL-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid

1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 66747592) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid
PubChem CID66747592
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESCCN(C)c1nc(-n2cc(C(=O)O)cn2)nc2ccc(-c3ccccc3C)cc12
InChIInChI=1S/C22H21N5O2/c1-4-26(3)20-18-11-15(17-8-6-5-7-14(17)2)9-10-19(18)24-22(25-20)27-13-16(12-23-27)21(28)29/h5-13H,4H2,1-3H3,(H,28,29)
InChIKeyDVQNNHLKKORHEL-UHFFFAOYSA-N
XLogP3.95
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid (CID 66747592) is 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid is CCN(C)c1nc(-n2cc(C(=O)O)cn2)nc2ccc(-c3ccccc3C)cc12.
What is the InChIKey of 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is DVQNNHLKKORHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-26(3)20-18-11-15(17-8-6-5-7-14(17)2)9-10-19(18)24-22(25-20)27-13-16(12-23-27)21(28)29/h5-13H,4H2,1-3H3,(H,28,29).
What are the key properties of 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(methyl)amino]-6-(2-methylphenyl)quinazolin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 66747592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).