4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide

C16H16ClN5O2 — CID 118031647

IUPAC4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide
SMILESCOc1nc2ccc(-c3cnnn3C)cc2c(Cl)c1C(=O)N(C)C
InChIInChI=1S/C16H16ClN5O2/c1-21(2)16(23)13-14(17)10-7-9(12-8-18-20-22(12)3)5-6-11(10)19-15(13)24-4/h5-8H,1-4H3
InChIKeyQWKFNNIUHNWDSI-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide

4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide (PubChem CID 118031647) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide
PubChem CID118031647
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide
SMILESCOc1nc2ccc(-c3cnnn3C)cc2c(Cl)c1C(=O)N(C)C
InChIInChI=1S/C16H16ClN5O2/c1-21(2)16(23)13-14(17)10-7-9(12-8-18-20-22(12)3)5-6-11(10)19-15(13)24-4/h5-8H,1-4H3
InChIKeyQWKFNNIUHNWDSI-UHFFFAOYSA-N
XLogP2.39
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide (CID 118031647) is 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide is COc1nc2ccc(-c3cnnn3C)cc2c(Cl)c1C(=O)N(C)C.
What is the InChIKey of 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide?
The InChIKey is QWKFNNIUHNWDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-21(2)16(23)13-14(17)10-7-9(12-8-18-20-22(12)3)5-6-11(10)19-15(13)24-4/h5-8H,1-4H3.
What are the key properties of 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide?
4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N,N-dimethyl-6-(3-methyltriazol-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 118031647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).