7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane

C18H19ClN2O — CID 153341767

IUPAC7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
SMILESCC.COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H13ClN2O.C2H6/c1-20-13-5-3-12(4-6-13)19-15-8-9-18-16-10-11(17)2-7-14(15)16;1-2/h2-10H,1H3,(H,18,19);1-2H3
InChIKeySBPXCJCMNCVUIV-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.67
Rot. Bonds3

About 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane

7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane (PubChem CID 153341767) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane.

Molecular Properties

Compound Name7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
PubChem CID153341767
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
SMILESCC.COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H13ClN2O.C2H6/c1-20-13-5-3-12(4-6-13)19-15-8-9-18-16-10-11(17)2-7-14(15)16;1-2/h2-10H,1H3,(H,18,19);1-2H3
InChIKeySBPXCJCMNCVUIV-UHFFFAOYSA-N
XLogP5.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine
CID 10766086
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
7-methoxy-N-[4-(methylaminosulfanyl)phenyl]quinolin-4-amine
CID 168886839
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
1-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(4-methoxyphenyl)thiourea
CID 44544468
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane?
The IUPAC name of 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane (CID 153341767) is 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane.
What is the SMILES notation for 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane?
The canonical SMILES for 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane is CC.COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane?
The InChIKey is SBPXCJCMNCVUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.C2H6/c1-20-13-5-3-12(4-6-13)19-15-8-9-18-16-10-11(17)2-7-14(15)16;1-2/h2-10H,1H3,(H,18,19);1-2H3.
What are the key properties of 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane?
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane has a molecular weight of 314.82 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane is sourced from PubChem (CID 153341767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).