8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

C22H27N3O2 — CID 126587428

IUPAC8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(NC4CCCCC4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H27N3O2/c1-14-10-17(13-25(2)22(14)27)16-11-15-8-9-20(26)24-21(15)19(12-16)23-18-6-4-3-5-7-18/h10-13,18,23H,3-9H2,1-2H3,(H,24,26)
InChIKeyUXAARJZSCPJQQY-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.99
Rot. Bonds3

About 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587428) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126587428
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(NC4CCCCC4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H27N3O2/c1-14-10-17(13-25(2)22(14)27)16-11-15-8-9-20(26)24-21(15)19(12-16)23-18-6-4-3-5-7-18/h10-13,18,23H,3-9H2,1-2H3,(H,24,26)
InChIKeyUXAARJZSCPJQQY-UHFFFAOYSA-N
XLogP3.99
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (CID 126587428) is 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2cc3c(c(NC4CCCCC4)c2)NC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UXAARJZSCPJQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14-10-17(13-25(2)22(14)27)16-11-15-8-9-20(26)24-21(15)19(12-16)23-18-6-4-3-5-7-18/h10-13,18,23H,3-9H2,1-2H3,(H,24,26).
What are the key properties of 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).