1-(4-methoxyquinolin-2-yl)propane-1,3-diamine

C13H17N3O — CID 22640741

IUPAC1-(4-methoxyquinolin-2-yl)propane-1,3-diamine
SMILESCOc1cc(C(N)CCN)nc2ccccc12
InChIInChI=1S/C13H17N3O/c1-17-13-8-12(10(15)6-7-14)16-11-5-3-2-4-9(11)13/h2-5,8,10H,6-7,14-15H2,1H3
InChIKeyVVRFXXOCKXRWHE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.59
Rot. Bonds4

About 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine

1-(4-methoxyquinolin-2-yl)propane-1,3-diamine (PubChem CID 22640741) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxyquinolin-2-yl)propane-1,3-diamine
PubChem CID22640741
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-methoxyquinolin-2-yl)propane-1,3-diamine
SMILESCOc1cc(C(N)CCN)nc2ccccc12
InChIInChI=1S/C13H17N3O/c1-17-13-8-12(10(15)6-7-14)16-11-5-3-2-4-9(11)13/h2-5,8,10H,6-7,14-15H2,1H3
InChIKeyVVRFXXOCKXRWHE-UHFFFAOYSA-N
XLogP1.59
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
1-(4-methylquinolin-2-yl)pent-4-en-1-amine
CID 114755015
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine
CID 18353658
2-[2-(2-fluorophenyl)ethyl]-4-methoxyquinoline
CID 142134657
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine (CID 22640741) is 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine is COc1cc(C(N)CCN)nc2ccccc12.
What is the InChIKey of 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine?
The InChIKey is VVRFXXOCKXRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-13-8-12(10(15)6-7-14)16-11-5-3-2-4-9(11)13/h2-5,8,10H,6-7,14-15H2,1H3.
What are the key properties of 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine?
1-(4-methoxyquinolin-2-yl)propane-1,3-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyquinolin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 22640741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).