3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one

C26H30N6O2 — CID 653768

IUPAC3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2CN(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1
InChIInChI=1S/C26H30N6O2/c1-18-7-10-20-14-21(26(33)27-24(20)13-18)16-31(22-5-3-4-6-22)17-25-28-29-30-32(25)15-19-8-11-23(34-2)12-9-19/h7-14,22H,3-6,15-17H2,1-2H3,(H,27,33)
InChIKeyCLESYUIRTDJQBD-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.82
Rot. Bonds8

About 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one

3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 653768) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID653768
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2CN(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1
InChIInChI=1S/C26H30N6O2/c1-18-7-10-20-14-21(26(33)27-24(20)13-18)16-31(22-5-3-4-6-22)17-25-28-29-30-32(25)15-19-8-11-23(34-2)12-9-19/h7-14,22H,3-6,15-17H2,1-2H3,(H,27,33)
InChIKeyCLESYUIRTDJQBD-UHFFFAOYSA-N
XLogP3.82
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171547
3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 3199024
ethyl 2-[5-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171569
3-[[cyclopentyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463915
3-[[cyclohexyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171532
3-[[(1-benzyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171766
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458
3-[[(4-methoxyphenyl)methyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170811
6,7-dimethoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 1464290
3-[[benzyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170825
3-[[(4-methoxyphenyl)methyl-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1464556
3-[[cyclohexyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 652790

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one (CID 653768) is 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one is COc1ccc(Cn2nnnc2CN(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1.
What is the InChIKey of 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is CLESYUIRTDJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-18-7-10-20-14-21(26(33)27-24(20)13-18)16-31(22-5-3-4-6-22)17-25-28-29-30-32(25)15-19-8-11-23(34-2)12-9-19/h7-14,22H,3-6,15-17H2,1-2H3,(H,27,33).
What are the key properties of 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 458.57 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 653768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).