3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

C27H30N6O2 — CID 653146

IUPAC3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c2cc1C
InChIInChI=1S/C27H30N6O2/c1-17-13-20-15-22(27(34)28-23(20)14-18(17)2)25(32-11-5-8-19-7-3-4-10-24(19)32)26-29-30-31-33(26)16-21-9-6-12-35-21/h3-4,7,10,13-15,21,25H,5-6,8-9,11-12,16H2,1-2H3,(H,28,34)
InChIKeyWCTBDMYGSHFUEL-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.85
Rot. Bonds5

About 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 653146) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID653146
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c2cc1C
InChIInChI=1S/C27H30N6O2/c1-17-13-20-15-22(27(34)28-23(20)14-18(17)2)25(32-11-5-8-19-7-3-4-10-24(19)32)26-29-30-31-33(26)16-21-9-6-12-35-21/h3-4,7,10,13-15,21,25H,5-6,8-9,11-12,16H2,1-2H3,(H,28,34)
InChIKeyWCTBDMYGSHFUEL-UHFFFAOYSA-N
XLogP3.85
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-{(3,4-Dihydro-2H-quinolin-1-yl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-6-ethyl-1H-quinolin-2-one
CID 645431
(5-{1-[Cyclopentyl-(5,7-dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amino]-2-methyl-propyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 645800
3-{[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-(2-hydroxy-ethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 645858
3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 645885
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-morpholin-4-yl-methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 646526
GlyTouCan:G74680ZU
CID 646618
6-Methyl-3-{morpholin-4-yl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-1H-quinolin-2-one
CID 646659
3-{[4-(2-Fluoro-phenyl)-piperazin-1-yl]-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 646864
6-Ethyl-3-{[4-(4-fluoro-phenyl)-piperazin-1-yl]-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-1H-quinolin-2-one
CID 647600
3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-(2-hydroxy-ethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 648352
6-Ethyl-3-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(4-phenyl-piperazin-1-yl)-methyl]-1H-quinolin-2-one
CID 649350
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(7,8-dimethyl-2-oxo-1,2-dihydro-quinolin-3-yl)-methyl]-piperidine-4-carboxylic acid ethyl ester
CID 649898

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 653146) is 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is Cc1cc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is WCTBDMYGSHFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-17-13-20-15-22(27(34)28-23(20)14-18(17)2)25(32-11-5-8-19-7-3-4-10-24(19)32)26-29-30-31-33(26)16-21-9-6-12-35-21/h3-4,7,10,13-15,21,25H,5-6,8-9,11-12,16H2,1-2H3,(H,28,34).
What are the key properties of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 470.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 653146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).