3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

C24H34N6O3 — CID 124899676

IUPAC3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(CN(CCO)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H34N6O3/c1-15(2)22(23-26-27-28-30(23)14-20-6-5-9-33-20)29(7-8-31)13-19-12-18-10-16(3)17(4)11-21(18)25-24(19)32/h10-12,15,20,22,31H,5-9,13-14H2,1-4H3,(H,25,32)/t20-,22-/m1/s1
InChIKeyVUQFJRBEGQZEJL-IFMALSPDSA-N
MW454.58 g/mol
LogP2.50
Rot. Bonds9

About 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 124899676) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID124899676
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(CN(CCO)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H34N6O3/c1-15(2)22(23-26-27-28-30(23)14-20-6-5-9-33-20)29(7-8-31)13-19-12-18-10-16(3)17(4)11-21(18)25-24(19)32/h10-12,15,20,22,31H,5-9,13-14H2,1-4H3,(H,25,32)/t20-,22-/m1/s1
InChIKeyVUQFJRBEGQZEJL-IFMALSPDSA-N
XLogP2.50
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203251
3-[[[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1436615
3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 51668136
3-[[furan-2-ylmethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 124899540
5,8-dimethyl-3-[[[(1S)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 124899518
3-[[(2-chlorophenyl)methyl-[(1S)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 124899694
8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3203169
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
3-[[cyclohexyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 51668070
3-[azepan-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3688483
6,7-dimethyl-3-[(S)-morpholin-4-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1148719
3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3176773

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 124899676) is 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is Cc1cc2cc(CN(CCO)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is VUQFJRBEGQZEJL-IFMALSPDSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-15(2)22(23-26-27-28-30(23)14-20-6-5-9-33-20)29(7-8-31)13-19-12-18-10-16(3)17(4)11-21(18)25-24(19)32/h10-12,15,20,22,31H,5-9,13-14H2,1-4H3,(H,25,32)/t20-,22-/m1/s1.
What are the key properties of 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 454.58 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 124899676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).