1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile

C22H28F2N6O — CID 69096509

IUPAC1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(C(CN3CCC(N)C(F)C3)N3CCC(N)C(F)C3)c2c1
InChIInChI=1S/C22H28F2N6O/c23-16-11-28(7-5-18(16)26)13-21(29-8-6-19(27)17(24)12-29)30-20-9-14(10-25)1-2-15(20)3-4-22(30)31/h1-4,9,16-19,21H,5-8,11-13,26-27H2
InChIKeyMHOMTFIVDIWPOR-UHFFFAOYSA-N
MW430.50 g/mol
LogP1.11
Rot. Bonds4

About 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile

1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile (PubChem CID 69096509) has the molecular formula C22H28F2N6O and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile.

Molecular Properties

Compound Name1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
PubChem CID69096509
Molecular FormulaC22H28F2N6O
Molecular Weight430.50 g/mol
Exact Mass430.23
IUPAC Name1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(C(CN3CCC(N)C(F)C3)N3CCC(N)C(F)C3)c2c1
InChIInChI=1S/C22H28F2N6O/c23-16-11-28(7-5-18(16)26)13-21(29-8-6-19(27)17(24)12-29)30-20-9-14(10-25)1-2-15(20)3-4-22(30)31/h1-4,9,16-19,21H,5-8,11-13,26-27H2
InChIKeyMHOMTFIVDIWPOR-UHFFFAOYSA-N
XLogP1.11
TPSA104.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
CID 68610480
1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
CID 141211537
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
CID 175061198
(3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine
CID 68995694
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
CID 130336630
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66843618
4-[(4-amino-3-methylpiperidin-1-yl)methyl]-3-fluorobenzonitrile
CID 79867580
(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 124748320
2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
CID 130303541
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile
CID 114484783

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
The IUPAC name of 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile (CID 69096509) is 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile.
What is the SMILES notation for 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
The canonical SMILES for 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile is N#Cc1ccc2ccc(=O)n(C(CN3CCC(N)C(F)C3)N3CCC(N)C(F)C3)c2c1.
What is the InChIKey of 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
The InChIKey is MHOMTFIVDIWPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N6O/c23-16-11-28(7-5-18(16)26)13-21(29-8-6-19(27)17(24)12-29)30-20-9-14(10-25)1-2-15(20)3-4-22(30)31/h1-4,9,16-19,21H,5-8,11-13,26-27H2.
What are the key properties of 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile has a molecular weight of 430.50 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile is sourced from PubChem (CID 69096509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).