6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

C20H27N5O2 — CID 150326166

IUPAC6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CCOc1ccc2c(c1)CCC(=O)N2)c1nnnn1C1CCCCC1
InChIInChI=1S/C20H27N5O2/c1-14(20-22-23-24-25(20)16-5-3-2-4-6-16)11-12-27-17-8-9-18-15(13-17)7-10-19(26)21-18/h8-9,13-14,16H,2-7,10-12H2,1H3,(H,21,26)
InChIKeyGORNLPMPPUWQQW-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.64
Rot. Bonds6

About 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 150326166) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID150326166
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CCOc1ccc2c(c1)CCC(=O)N2)c1nnnn1C1CCCCC1
InChIInChI=1S/C20H27N5O2/c1-14(20-22-23-24-25(20)16-5-3-2-4-6-16)11-12-27-17-8-9-18-15(13-17)7-10-19(26)21-18/h8-9,13-14,16H,2-7,10-12H2,1H3,(H,21,26)
InChIKeyGORNLPMPPUWQQW-UHFFFAOYSA-N
XLogP3.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67172975
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one;phosphoric acid
CID 56963281
6-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one
CID 14207317
6-[2-(2-aminocyclopentyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 79573107
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
2-(ethylamino)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 63038955
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-propan-2-ylguanidine
CID 111057784
6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 123840256
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-(3-methylbutoxy)benzenesulfonamide
CID 124849969
6-[4-[4-(4-methylpentanoyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55922389

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 150326166) is 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is CC(CCOc1ccc2c(c1)CCC(=O)N2)c1nnnn1C1CCCCC1.
What is the InChIKey of 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GORNLPMPPUWQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(20-22-23-24-25(20)16-5-3-2-4-6-16)11-12-27-17-8-9-18-15(13-17)7-10-19(26)21-18/h8-9,13-14,16H,2-7,10-12H2,1H3,(H,21,26).
What are the key properties of 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 150326166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).