7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

C27H33FN4O2 — CID 29084542

IUPAC7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESO=c1c(CNCC2(N3CCOCC3)CCCCC2)cc2ccc(F)cc2n1Cc1ccccn1
InChIInChI=1S/C27H33FN4O2/c28-23-8-7-21-16-22(26(33)32(25(21)17-23)19-24-6-2-5-11-30-24)18-29-20-27(9-3-1-4-10-27)31-12-14-34-15-13-31/h2,5-8,11,16-17,29H,1,3-4,9-10,12-15,18-20H2
InChIKeyPZQXSGWZFPNKFP-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.71
Rot. Bonds7

About 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 29084542) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID29084542
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESO=c1c(CNCC2(N3CCOCC3)CCCCC2)cc2ccc(F)cc2n1Cc1ccccn1
InChIInChI=1S/C27H33FN4O2/c28-23-8-7-21-16-22(26(33)32(25(21)17-23)19-24-6-2-5-11-30-24)18-29-20-27(9-3-1-4-10-27)31-12-14-34-15-13-31/h2,5-8,11,16-17,29H,1,3-4,9-10,12-15,18-20H2
InChIKeyPZQXSGWZFPNKFP-UHFFFAOYSA-N
XLogP3.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 29084542) is 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is O=c1c(CNCC2(N3CCOCC3)CCCCC2)cc2ccc(F)cc2n1Cc1ccccn1.
What is the InChIKey of 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is PZQXSGWZFPNKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c28-23-8-7-21-16-22(26(33)32(25(21)17-23)19-24-6-2-5-11-30-24)18-29-20-27(9-3-1-4-10-27)31-12-14-34-15-13-31/h2,5-8,11,16-17,29H,1,3-4,9-10,12-15,18-20H2.
What are the key properties of 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 464.59 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 29084542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).