2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C13H12ClN5O — CID 146644992

IUPAC2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cc(C)[nH]n3)nc(Cl)nc2c1
InChIInChI=1S/C13H12ClN5O/c1-7-5-11(19-18-7)16-12-9-4-3-8(20-2)6-10(9)15-13(14)17-12/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyLHTWKIGCDHMBLM-UHFFFAOYSA-N
MW289.73 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 146644992) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID146644992
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cc(C)[nH]n3)nc(Cl)nc2c1
InChIInChI=1S/C13H12ClN5O/c1-7-5-11(19-18-7)16-12-9-4-3-8(20-2)6-10(9)15-13(14)17-12/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyLHTWKIGCDHMBLM-UHFFFAOYSA-N
XLogP3.07
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10155985
3-[[7-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 166769909
1-[[3-[[7-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]sulfonyl]azetidine-3-carbonitrile
CID 166770167
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide
CID 10156128
5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 146645356
[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol
CID 141442333
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
6-[(3-chloro-2-pyridinyl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 23160365
3-[2,6-diethyl-4-[[7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]propanenitrile
CID 146645723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 146644992) is 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is COc1ccc2c(Nc3cc(C)[nH]n3)nc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is LHTWKIGCDHMBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-7-5-11(19-18-7)16-12-9-4-3-8(20-2)6-10(9)15-13(14)17-12/h3-6H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 289.73 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 146644992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).