[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C16H25ClN4 — CID 82584864

IUPAC[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CC(N2CCCNCC2)c2ccc(Cl)cc2C1CN
InChIInChI=1S/C16H25ClN4/c1-20-11-16(21-7-2-5-19-6-8-21)13-4-3-12(17)9-14(13)15(20)10-18/h3-4,9,15-16,19H,2,5-8,10-11,18H2,1H3
InChIKeyJFMHQJBXPBOGFU-UHFFFAOYSA-N
MW308.86 g/mol
LogP1.62
Rot. Bonds2

About [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82584864) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82584864
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CC(N2CCCNCC2)c2ccc(Cl)cc2C1CN
InChIInChI=1S/C16H25ClN4/c1-20-11-16(21-7-2-5-19-6-8-21)13-4-3-12(17)9-14(13)15(20)10-18/h3-4,9,15-16,19H,2,5-8,10-11,18H2,1H3
InChIKeyJFMHQJBXPBOGFU-UHFFFAOYSA-N
XLogP1.62
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine with MolForge

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Related Compounds

(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584748
[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584814
1-(7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine
CID 82246990
[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584768
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 71242640
(6S)-8-chloro-6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine
CID 11529837
(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one
CID 125453551
1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
CID 66195593
3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-2,5-dione
CID 43635976
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
CID 3055979
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
(3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine
CID 70821069

Frequently Asked Questions

What is the IUPAC name of [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82584864) is [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is CN1CC(N2CCCNCC2)c2ccc(Cl)cc2C1CN.
What is the InChIKey of [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is JFMHQJBXPBOGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-20-11-16(21-7-2-5-19-6-8-21)13-4-3-12(17)9-14(13)15(20)10-18/h3-4,9,15-16,19H,2,5-8,10-11,18H2,1H3.
What are the key properties of [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 308.86 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82584864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).