2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane

C17H16ClN3O2 — CID 145387367

IUPAC2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane
SMILESCC.Nc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)nc1
InChIInChI=1S/C15H10ClN3O2.C2H6/c16-8-1-3-12-10(5-8)11(15(20)21)6-14(19-12)13-4-2-9(17)7-18-13;1-2/h1-7H,17H2,(H,20,21);1-2H3
InChIKeyARRDNFAMJXWWAW-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.26
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane

2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane (PubChem CID 145387367) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane
PubChem CID145387367
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane
SMILESCC.Nc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)nc1
InChIInChI=1S/C15H10ClN3O2.C2H6/c16-8-1-3-12-10(5-8)11(15(20)21)6-14(19-12)13-4-2-9(17)7-18-13;1-2/h1-7H,17H2,(H,20,21);1-2H3
InChIKeyARRDNFAMJXWWAW-UHFFFAOYSA-N
XLogP4.26
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
CID 84634019
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
6-chloro-2-[1-(5-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxylic acid
CID 58487625
2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid
CID 170149298

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane?
The IUPAC name of 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane (CID 145387367) is 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane is CC.Nc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane?
The InChIKey is ARRDNFAMJXWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2.C2H6/c16-8-1-3-12-10(5-8)11(15(20)21)6-14(19-12)13-4-2-9(17)7-18-13;1-2/h1-7H,17H2,(H,20,21);1-2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane?
2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane has a molecular weight of 329.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane is sourced from PubChem (CID 145387367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).