[4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine

C20H20ClN3 — CID 127038024

IUPAC[4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCCN3)cc1
InChIInChI=1S/C20H20ClN3/c21-15-8-9-18-17(11-15)20-16(3-1-2-10-23-20)19(24-18)14-6-4-13(12-22)5-7-14/h4-9,11,23H,1-3,10,12,22H2
InChIKeyPYNYUAVRLFUISX-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.76
Rot. Bonds2

About [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine

[4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine (PubChem CID 127038024) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine
PubChem CID127038024
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name[4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCCN3)cc1
InChIInChI=1S/C20H20ClN3/c21-15-8-9-18-17(11-15)20-16(3-1-2-10-23-20)19(24-18)14-6-4-13(12-22)5-7-14/h4-9,11,23H,1-3,10,12,22H2
InChIKeyPYNYUAVRLFUISX-UHFFFAOYSA-N
XLogP4.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine with MolForge

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Related Compounds

[4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine
CID 127038712
6-[(1-butylpiperidin-4-yl)methoxy]-10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 10157917
[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219
[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980490
9-(3-chlorophenyl)-10-azatetracyclo[9.8.0.02,8.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
CID 102408042
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
1-(3-bromophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4263647
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
4-(4-iodophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 4654987
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144
7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine
CID 10537618
[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine
CID 67001793

Frequently Asked Questions

What is the IUPAC name of [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine?
The IUPAC name of [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine (CID 127038024) is [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine.
What is the SMILES notation for [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine?
The canonical SMILES for [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine is NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCCN3)cc1.
What is the InChIKey of [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine?
The InChIKey is PYNYUAVRLFUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-15-8-9-18-17(11-15)20-16(3-1-2-10-23-20)19(24-18)14-6-4-13(12-22)5-7-14/h4-9,11,23H,1-3,10,12,22H2.
What are the key properties of [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine?
[4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine has a molecular weight of 337.85 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine is sourced from PubChem (CID 127038024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).