3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate

C20H12ClN2O2- — CID 3638554

IUPAC3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2cc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H13ClN2O2/c21-14-5-6-15-17(7-8-22-18(15)11-14)23-19-10-13-4-2-1-3-12(13)9-16(19)20(24)25/h1-11H,(H,22,23)(H,24,25)/p-1
InChIKeyPPDXZIZIGXRQBO-UHFFFAOYSA-M
MW347.78 g/mol
LogP4.15
Rot. Bonds3

About 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate

3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate (PubChem CID 3638554) has the molecular formula C20H12ClN2O2- and a molecular weight of 347.78 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate
PubChem CID3638554
Molecular FormulaC20H12ClN2O2-
Molecular Weight347.78 g/mol
Exact Mass347.06
IUPAC Name3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2cc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H13ClN2O2/c21-14-5-6-15-17(7-8-22-18(15)11-14)23-19-10-13-4-2-1-3-12(13)9-16(19)20(24)25/h1-11H,(H,22,23)(H,24,25)/p-1
InChIKeyPPDXZIZIGXRQBO-UHFFFAOYSA-M
XLogP4.15
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-3-phenylurea
CID 71530749
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
methyl 3-[(7-chloroquinolin-4-yl)amino]-4-methylbenzoate
CID 172907299
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 69174723
butyl 2-[2-[(7-chloroquinolin-4-yl)amino]phenyl]acetate;hydrochloride
CID 69165819

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate (CID 3638554) is 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate is O=C([O-])c1cc2ccccc2cc1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate?
The InChIKey is PPDXZIZIGXRQBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H13ClN2O2/c21-14-5-6-15-17(7-8-22-18(15)11-14)23-19-10-13-4-2-1-3-12(13)9-16(19)20(24)25/h1-11H,(H,22,23)(H,24,25)/p-1.
What are the key properties of 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate?
3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate has a molecular weight of 347.78 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate is sourced from PubChem (CID 3638554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).