(4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

C15H21N3O — CID 3044369

IUPAC(4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCOc1cc(N[C@@H](C)CCCN)c2ncccc2c1
InChIInChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1
InChIKeyINDBQLZJXZLFIT-NSHDSACASA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds6

About (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

(4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine (PubChem CID 3044369) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name(4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
PubChem CID3044369
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCOc1cc(N[C@@H](C)CCCN)c2ncccc2c1
InChIInChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1
InChIKeyINDBQLZJXZLFIT-NSHDSACASA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine (CID 3044369) is (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine is COc1cc(N[C@@H](C)CCCN)c2ncccc2c1.
What is the InChIKey of (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is INDBQLZJXZLFIT-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
(4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 3044369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).