4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane

C19H21ClN2O2 — CID 177004461

IUPAC4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
SMILESCC.COc1cc2c(Cl)c(N)cnc2cc1OCc1ccccc1
InChIInChI=1S/C17H15ClN2O2.C2H6/c1-21-15-7-12-14(20-9-13(19)17(12)18)8-16(15)22-10-11-5-3-2-4-6-11;1-2/h2-9H,10,19H2,1H3;1-2H3
InChIKeyJCWSAGRGTMZXRR-UHFFFAOYSA-N
MW344.84 g/mol
LogP5.08
Rot. Bonds4

About 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane

4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane (PubChem CID 177004461) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
PubChem CID177004461
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
SMILESCC.COc1cc2c(Cl)c(N)cnc2cc1OCc1ccccc1
InChIInChI=1S/C17H15ClN2O2.C2H6/c1-21-15-7-12-14(20-9-13(19)17(12)18)8-16(15)22-10-11-5-3-2-4-6-11;1-2/h2-9H,10,19H2,1H3;1-2H3
InChIKeyJCWSAGRGTMZXRR-UHFFFAOYSA-N
XLogP5.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-isocyano-7-methoxy-6-phenylmethoxyquinoline
CID 155636883
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline
CID 91376472
4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
CID 118112032
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
3-methoxy-4-phenylmethoxyaniline
CID 27226
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane?
The IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane (CID 177004461) is 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane.
What is the SMILES notation for 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane?
The canonical SMILES for 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane is CC.COc1cc2c(Cl)c(N)cnc2cc1OCc1ccccc1.
What is the InChIKey of 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane?
The InChIKey is JCWSAGRGTMZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2.C2H6/c1-21-15-7-12-14(20-9-13(19)17(12)18)8-16(15)22-10-11-5-3-2-4-6-11;1-2/h2-9H,10,19H2,1H3;1-2H3.
What are the key properties of 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane?
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane has a molecular weight of 344.84 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane is sourced from PubChem (CID 177004461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).