2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine

C14H14ClN5O — CID 153384124

IUPAC2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc2nc(Cl)nc(Nc3cnn(C)c3)c2c1C
InChIInChI=1S/C14H14ClN5O/c1-8-11(21-3)5-4-10-12(8)13(19-14(15)18-10)17-9-6-16-20(2)7-9/h4-7H,1-3H3,(H,17,18,19)
InChIKeyDQNQMGSTYKMBHY-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine

2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine (PubChem CID 153384124) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine
PubChem CID153384124
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc2nc(Cl)nc(Nc3cnn(C)c3)c2c1C
InChIInChI=1S/C14H14ClN5O/c1-8-11(21-3)5-4-10-12(8)13(19-14(15)18-10)17-9-6-16-20(2)7-9/h4-7H,1-3H3,(H,17,18,19)
InChIKeyDQNQMGSTYKMBHY-UHFFFAOYSA-N
XLogP3.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 79779087
2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 156636551
methyl 2,5-dimethyl-4-[(1-methylpyrazol-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 47054742
2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770557
2-chloro-N-(1-methylpyrazol-4-yl)-9-propan-2-ylpurin-6-amine
CID 118073689
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27368996
4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 80726984
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776698
5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 105369180
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine
CID 139454099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine (CID 153384124) is 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine is COc1ccc2nc(Cl)nc(Nc3cnn(C)c3)c2c1C.
What is the InChIKey of 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The InChIKey is DQNQMGSTYKMBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-8-11(21-3)5-4-10-12(8)13(19-14(15)18-10)17-9-6-16-20(2)7-9/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine?
2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine has a molecular weight of 303.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 153384124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).