3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

C25H38N6O2 — CID 3203603

IUPAC3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCCCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C25H38N6O2/c1-7-10-22(23-27-28-29-31(23)25(5,6)8-2)30(11-9-12-32)16-20-15-19-13-17(3)18(4)14-21(19)26-24(20)33/h13-15,22,32H,7-12,16H2,1-6H3,(H,26,33)
InChIKeyWVBHGHSMFQPRCN-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.00
Rot. Bonds11

About 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 3203603) has the molecular formula C25H38N6O2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID3203603
Molecular FormulaC25H38N6O2
Molecular Weight454.62 g/mol
Exact Mass454.31
IUPAC Name3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCCCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C25H38N6O2/c1-7-10-22(23-27-28-29-31(23)25(5,6)8-2)30(11-9-12-32)16-20-15-19-13-17(3)18(4)14-21(19)26-24(20)33/h13-15,22,32H,7-12,16H2,1-6H3,(H,26,33)
InChIKeyWVBHGHSMFQPRCN-UHFFFAOYSA-N
XLogP4.00
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 7383262
3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203600
3-[[3-hydroxypropyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203257
6-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3204505
3-[[(2-methoxyphenyl)methyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3199717
3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204477
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-phenylethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1464982
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203499
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213048
3-[[2-hydroxyethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 23829509
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(3-hydroxypropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 7382767
8-[[1-(1-cyclohexyltetrazol-5-yl)butyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3203546

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 3203603) is 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is CCCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is WVBHGHSMFQPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O2/c1-7-10-22(23-27-28-29-31(23)25(5,6)8-2)30(11-9-12-32)16-20-15-19-13-17(3)18(4)14-21(19)26-24(20)33/h13-15,22,32H,7-12,16H2,1-6H3,(H,26,33).
What are the key properties of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 454.62 g/mol, XLogP of 4.00, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3203603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).