3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

C27H34N6O2 — CID 3203220

IUPAC3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C
InChIInChI=1S/C27H34N6O2/c1-17(2)25(26-29-30-31-33(26)22-8-5-6-9-22)32(16-23-10-7-11-35-23)15-21-14-20-12-18(3)19(4)13-24(20)28-27(21)34/h7,10-14,17,22,25H,5-6,8-9,15-16H2,1-4H3,(H,28,34)
InChIKeyUJQIFDOPDDHWAU-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.24
Rot. Bonds8

About 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 3203220) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID3203220
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C
InChIInChI=1S/C27H34N6O2/c1-17(2)25(26-29-30-31-33(26)22-8-5-6-9-22)32(16-23-10-7-11-35-23)15-21-14-20-12-18(3)19(4)13-24(20)28-27(21)34/h7,10-14,17,22,25H,5-6,8-9,15-16H2,1-4H3,(H,28,34)
InChIKeyUJQIFDOPDDHWAU-UHFFFAOYSA-N
XLogP5.24
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-{(1-tert-Butyl-1H-tetrazol-5-yl)-[4-(furan-2-carbonyl)-piperazin-1-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 644766
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 645256
3-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-phenethyl-amino]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645429
3-[(1-tert-butyl-5-tetrazolyl)-[2-furanylmethyl(2-oxolanylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 645974
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2-ylmethyl-amino}-methyl)-6-ethoxy-1H-quinolin-2-one
CID 646133
6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
CID 646225
3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 646349
6-Ethoxy-3-[(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-(3-methyl-piperidin-1-yl)-methyl]-1H-quinolin-2-one
CID 647948
3-({Furan-2-ylmethyl-[2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 649371
3-({Furan-2-ylmethyl-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 649417
3-{(Furan-2-ylmethyl-thiophen-2-ylmethyl-amino)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-7-methyl-1H-quinolin-2-one
CID 649438
3-({[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-phenethyl-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 650011

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 3203220) is 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is Cc1cc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is UJQIFDOPDDHWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-17(2)25(26-29-30-31-33(26)22-8-5-6-9-22)32(16-23-10-7-11-35-23)15-21-14-20-12-18(3)19(4)13-24(20)28-27(21)34/h7,10-14,17,22,25H,5-6,8-9,15-16H2,1-4H3,(H,28,34).
What are the key properties of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 474.61 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3203220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).