1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid

C14H14N2O2 — CID 106766488

IUPAC1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CC2)c2ccccc12
InChIInChI=1S/C14H14N2O2/c17-14(18)12-8-16-13(15-7-9-5-6-9)11-4-2-1-3-10(11)12/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18)
InChIKeyLZBRWKFNKACZOK-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.75
Rot. Bonds4

About 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid

1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid (PubChem CID 106766488) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid
PubChem CID106766488
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CC2)c2ccccc12
InChIInChI=1S/C14H14N2O2/c17-14(18)12-8-16-13(15-7-9-5-6-9)11-4-2-1-3-10(11)12/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18)
InChIKeyLZBRWKFNKACZOK-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766978
1-(2-carbamoyloxyethylamino)isoquinoline-4-carboxylic acid
CID 106767433
1-(hydroxyamino)isoquinoline-4-carboxylic acid
CID 106767395
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106373085
1-[2-[methyl(propan-2-yl)amino]ethylamino]isoquinoline-4-carboxylic acid
CID 106766971
1-(1,3-thiazol-2-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766776
1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106766904
1-[(5-hydroxy-4-methylpentyl)amino]isoquinoline-4-carboxylic acid
CID 106161917
1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]isoquinoline-4-carboxylic acid
CID 106766900
1-(2-thiophen-3-ylethylamino)isoquinoline-4-carboxylic acid
CID 106766757
1-[2-(1,3-thiazol-4-yl)ethylamino]isoquinoline-4-carboxylic acid
CID 106767085

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid (CID 106766488) is 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid is O=C(O)c1cnc(NCC2CC2)c2ccccc12.
What is the InChIKey of 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid?
The InChIKey is LZBRWKFNKACZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)12-8-16-13(15-7-9-5-6-9)11-4-2-1-3-10(11)12/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid?
1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid is sourced from PubChem (CID 106766488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).