N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide

C16H18N6O2 — CID 133427903

IUPACN-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide
SMILESCc1ccc2ncnc(Nc3cnn(CC(=O)NCCO)c3)c2c1
InChIInChI=1S/C16H18N6O2/c1-11-2-3-14-13(6-11)16(19-10-18-14)21-12-7-20-22(8-12)9-15(24)17-4-5-23/h2-3,6-8,10,23H,4-5,9H2,1H3,(H,17,24)(H,18,19,21)
InChIKeyIQOXIFKYAHUERI-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.99
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide (PubChem CID 133427903) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide
PubChem CID133427903
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide
SMILESCc1ccc2ncnc(Nc3cnn(CC(=O)NCCO)c3)c2c1
InChIInChI=1S/C16H18N6O2/c1-11-2-3-14-13(6-11)16(19-10-18-14)21-12-7-20-22(8-12)9-15(24)17-4-5-23/h2-3,6-8,10,23H,4-5,9H2,1H3,(H,17,24)(H,18,19,21)
InChIKeyIQOXIFKYAHUERI-UHFFFAOYSA-N
XLogP0.99
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
CID 154455652
2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol
CID 86839626
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
CID 133276027
(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
CID 142858154
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
CID 133428082
6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
CID 133446921
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine
CID 86946152
N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
CID 110017451

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide (CID 133427903) is N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide is Cc1ccc2ncnc(Nc3cnn(CC(=O)NCCO)c3)c2c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide?
The InChIKey is IQOXIFKYAHUERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-2-3-14-13(6-11)16(19-10-18-14)21-12-7-20-22(8-12)9-15(24)17-4-5-23/h2-3,6-8,10,23H,4-5,9H2,1H3,(H,17,24)(H,18,19,21).
What are the key properties of N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 133427903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).