7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide

C14H17N3O2 — CID 82571693

IUPAC7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide
SMILESCOCCCNC(=O)c1nccc2ccc(N)cc12
InChIInChI=1S/C14H17N3O2/c1-19-8-2-6-17-14(18)13-12-9-11(15)4-3-10(12)5-7-16-13/h3-5,7,9H,2,6,8,15H2,1H3,(H,17,18)
InChIKeyRJGNFQHXWRNMGZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.58
Rot. Bonds5

About 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide

7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide (PubChem CID 82571693) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide
PubChem CID82571693
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide
SMILESCOCCCNC(=O)c1nccc2ccc(N)cc12
InChIInChI=1S/C14H17N3O2/c1-19-8-2-6-17-14(18)13-12-9-11(15)4-3-10(12)5-7-16-13/h3-5,7,9H,2,6,8,15H2,1H3,(H,17,18)
InChIKeyRJGNFQHXWRNMGZ-UHFFFAOYSA-N
XLogP1.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-butylisoquinoline-1-carboxamide
CID 82571716
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
2-(5-amino-2-pyridinyl)-N-(3-methoxypropyl)acetamide
CID 107337559
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
CID 82571688
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-(4-amino-2-methylphenoxy)-2,2-difluoro-N-(3-methoxypropyl)acetamide
CID 162556705

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide?
The IUPAC name of 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide (CID 82571693) is 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide.
What is the SMILES notation for 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide?
The canonical SMILES for 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide is COCCCNC(=O)c1nccc2ccc(N)cc12.
What is the InChIKey of 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide?
The InChIKey is RJGNFQHXWRNMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-8-2-6-17-14(18)13-12-9-11(15)4-3-10(12)5-7-16-13/h3-5,7,9H,2,6,8,15H2,1H3,(H,17,18).
What are the key properties of 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide?
7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 82571693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).