1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol

C16H21N3O — CID 107403747

IUPAC1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2c(N)cnc3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c1-16(20)7-4-9-19(10-8-16)15-12-5-2-3-6-14(12)18-11-13(15)17/h2-3,5-6,11,20H,4,7-10,17H2,1H3
InChIKeyHNPUGWZWUQDGRY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds1

About 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol

1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol (PubChem CID 107403747) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol
PubChem CID107403747
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2c(N)cnc3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c1-16(20)7-4-9-19(10-8-16)15-12-5-2-3-6-14(12)18-11-13(15)17/h2-3,5-6,11,20H,4,7-10,17H2,1H3
InChIKeyHNPUGWZWUQDGRY-UHFFFAOYSA-N
XLogP2.56
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine
CID 103963511
1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
CID 107403613
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
CID 107403605
4-(azocan-1-yl)quinoline-3-carbothioamide
CID 43669619
4-(azepan-1-yl)quinoline-3-carbothioamide
CID 43669568
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine
CID 103962920
4-(3-propoxypiperidin-1-yl)quinolin-3-amine
CID 103963084
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
CID 107408996
4-[3-(diethylamino)pyrrolidin-1-yl]quinolin-3-amine
CID 103963279

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol (CID 107403747) is 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2c(N)cnc3ccccc23)CC1.
What is the InChIKey of 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol?
The InChIKey is HNPUGWZWUQDGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(20)7-4-9-19(10-8-16)15-12-5-2-3-6-14(12)18-11-13(15)17/h2-3,5-6,11,20H,4,7-10,17H2,1H3.
What are the key properties of 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol?
1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol has a molecular weight of 271.36 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).