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

C20H27N5O3 — CID 10022985

IUPAC6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCc3nnnn3C3CCC(O)CC3)ccc2N1
InChIInChI=1S/C20H27N5O3/c26-16-7-5-15(6-8-16)25-19(22-23-24-25)3-1-2-12-28-17-9-10-18-14(13-17)4-11-20(27)21-18/h9-10,13,15-16,26H,1-8,11-12H2,(H,21,27)
InChIKeyKFXNZXLUGHLDBB-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.44
Rot. Bonds7

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

6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10022985) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10022985
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCc3nnnn3C3CCC(O)CC3)ccc2N1
InChIInChI=1S/C20H27N5O3/c26-16-7-5-15(6-8-16)25-19(22-23-24-25)3-1-2-12-28-17-9-10-18-14(13-17)4-11-20(27)21-18/h9-10,13,15-16,26H,1-8,11-12H2,(H,21,27)
InChIKeyKFXNZXLUGHLDBB-UHFFFAOYSA-N
XLogP2.44
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cilostazol
CID 2754
Opc 13013
CID 45358936
3,4-Dehydrocilostazol
CID 10021885
Opc-13326
CID 10045635
3-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-ethyl-piperazin-1-yl)-methyl]-6-ethoxy-1H-quinolin-2-one
CID 647311
3-{(3,4-Dihydro-1H-isoquinolin-2-yl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 653403
6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 3176570
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 646961
3-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-propyl-piperazin-1-yl)-methyl]-6-ethoxy-1H-quinolin-2-one
CID 648087
3-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methyl-piperazin-1-yl)-methyl]-6-ethoxy-1H-quinolin-2-one
CID 650600
6-Ethoxy-3-{[(2-hydroxy-ethyl)-(1-phenethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-1H-quinolin-2-one
CID 3200458
6-Ethoxy-3-{[(3-hydroxy-propyl)-(1-phenethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-1H-quinolin-2-one
CID 3200461

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 10022985) is 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCCCc3nnnn3C3CCC(O)CC3)ccc2N1.
What is the InChIKey of 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KFXNZXLUGHLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-16-7-5-15(6-8-16)25-19(22-23-24-25)3-1-2-12-28-17-9-10-18-14(13-17)4-11-20(27)21-18/h9-10,13,15-16,26H,1-8,11-12H2,(H,21,27).
What are the key properties of 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 385.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10022985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).