4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile

C16H16FN3O — CID 23498090

IUPAC4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile
SMILESCOc1cc2c(NC3CCCC3)c(C#N)cnc2cc1F
InChIInChI=1S/C16H16FN3O/c1-21-15-6-12-14(7-13(15)17)19-9-10(8-18)16(12)20-11-4-2-3-5-11/h6-7,9,11H,2-5H2,1H3,(H,19,20)
InChIKeyKKMXKJLTNDOMHZ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.61
Rot. Bonds3

About 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile

4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile (PubChem CID 23498090) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile
PubChem CID23498090
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile
SMILESCOc1cc2c(NC3CCCC3)c(C#N)cnc2cc1F
InChIInChI=1S/C16H16FN3O/c1-21-15-6-12-14(7-13(15)17)19-9-10(8-18)16(12)20-11-4-2-3-5-11/h6-7,9,11H,2-5H2,1H3,(H,19,20)
InChIKeyKKMXKJLTNDOMHZ-UHFFFAOYSA-N
XLogP3.61
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile (CID 23498090) is 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile is COc1cc2c(NC3CCCC3)c(C#N)cnc2cc1F.
What is the InChIKey of 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile?
The InChIKey is KKMXKJLTNDOMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-21-15-6-12-14(7-13(15)17)19-9-10(8-18)16(12)20-11-4-2-3-5-11/h6-7,9,11H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile?
4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 23498090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).