4-(cyclopentylamino)cinnoline-3-carboxylic acid

C14H15N3O2 — CID 64625154

IUPAC4-(cyclopentylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1NC1CCCC1
InChIInChI=1S/C14H15N3O2/c18-14(19)13-12(15-9-5-1-2-6-9)10-7-3-4-8-11(10)16-17-13/h3-4,7-9H,1-2,5-6H2,(H,15,16)(H,18,19)
InChIKeyVRTJRPCJBBJKHJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.68
Rot. Bonds3

About 4-(cyclopentylamino)cinnoline-3-carboxylic acid

4-(cyclopentylamino)cinnoline-3-carboxylic acid (PubChem CID 64625154) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(cyclopentylamino)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)cinnoline-3-carboxylic acid
PubChem CID64625154
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(cyclopentylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1NC1CCCC1
InChIInChI=1S/C14H15N3O2/c18-14(19)13-12(15-9-5-1-2-6-9)10-7-3-4-8-11(10)16-17-13/h3-4,7-9H,1-2,5-6H2,(H,15,16)(H,18,19)
InChIKeyVRTJRPCJBBJKHJ-UHFFFAOYSA-N
XLogP2.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(cyclopentylamino)cinnoline-3-carboxylic acid (CID 64625154) is 4-(cyclopentylamino)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylamino)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(cyclopentylamino)cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)cinnoline-3-carboxylic acid?
The InChIKey is VRTJRPCJBBJKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)13-12(15-9-5-1-2-6-9)10-7-3-4-8-11(10)16-17-13/h3-4,7-9H,1-2,5-6H2,(H,15,16)(H,18,19).
What are the key properties of 4-(cyclopentylamino)cinnoline-3-carboxylic acid?
4-(cyclopentylamino)cinnoline-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64625154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).