2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride

C17H21ClN6O — CID 167951649

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride
SMILESCc1cccc2c(NCC(Cc3cnn(C)c3)C(N)=O)ncnc12.Cl
InChIInChI=1S/C17H20N6O.ClH/c1-11-4-3-5-14-15(11)20-10-21-17(14)19-8-13(16(18)24)6-12-7-22-23(2)9-12;/h3-5,7,9-10,13H,6,8H2,1-2H3,(H2,18,24)(H,19,20,21);1H
InChIKeyPLNVJNIWLBTKFL-UHFFFAOYSA-N
MW360.85 g/mol
LogP1.85
Rot. Bonds6

About 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride

2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride (PubChem CID 167951649) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride
PubChem CID167951649
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride
SMILESCc1cccc2c(NCC(Cc3cnn(C)c3)C(N)=O)ncnc12.Cl
InChIInChI=1S/C17H20N6O.ClH/c1-11-4-3-5-14-15(11)20-10-21-17(14)19-8-13(16(18)24)6-12-7-22-23(2)9-12;/h3-5,7,9-10,13H,6,8H2,1-2H3,(H2,18,24)(H,19,20,21);1H
InChIKeyPLNVJNIWLBTKFL-UHFFFAOYSA-N
XLogP1.85
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 166186833
2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71908160
(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one
CID 129003809
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
CID 95321688
N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide
CID 97348025
(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 97075482
2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 75449927
2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 75391651
8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline
CID 133487402
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
propan-2-yl 4-[(8-methylquinazolin-4-yl)amino]butanoate
CID 133473380
(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
CID 29061487

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride (CID 167951649) is 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride is Cc1cccc2c(NCC(Cc3cnn(C)c3)C(N)=O)ncnc12.Cl.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride?
The InChIKey is PLNVJNIWLBTKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.ClH/c1-11-4-3-5-14-15(11)20-10-21-17(14)19-8-13(16(18)24)6-12-7-22-23(2)9-12;/h3-5,7,9-10,13H,6,8H2,1-2H3,(H2,18,24)(H,19,20,21);1H.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride?
2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride is sourced from PubChem (CID 167951649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).