3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one

C27H38N6O3 — CID 3203077

IUPAC3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3C3CCCCC3)C(C)C)cc2c1
InChIInChI=1S/C27H38N6O3/c1-18(2)25(26-29-30-31-33(26)21-8-5-4-6-9-21)32(17-23-10-7-13-36-23)16-20-14-19-15-22(35-3)11-12-24(19)28-27(20)34/h11-12,14-15,18,21,23,25H,4-10,13,16-17H2,1-3H3,(H,28,34)
InChIKeyVECCMFGJZQYFIU-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.41
Rot. Bonds9

About 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one

3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 3203077) has the molecular formula C27H38N6O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID3203077
Molecular FormulaC27H38N6O3
Molecular Weight494.64 g/mol
Exact Mass494.30
IUPAC Name3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3C3CCCCC3)C(C)C)cc2c1
InChIInChI=1S/C27H38N6O3/c1-18(2)25(26-29-30-31-33(26)21-8-5-4-6-9-21)32(17-23-10-7-13-36-23)16-20-14-19-15-22(35-3)11-12-24(19)28-27(20)34/h11-12,14-15,18,21,23,25H,4-10,13,16-17H2,1-3H3,(H,28,34)
InChIKeyVECCMFGJZQYFIU-UHFFFAOYSA-N
XLogP4.41
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 124899650
3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3203100
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3186331
7-methoxy-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(oxolan-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3203119
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 124899601
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204192
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 28608281
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204383
6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 6557705
6-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(oxolan-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3204275
3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-(thiophen-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199395
3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 124899717

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one (CID 3203077) is 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3C3CCCCC3)C(C)C)cc2c1.
What is the InChIKey of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is VECCMFGJZQYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O3/c1-18(2)25(26-29-30-31-33(26)21-8-5-4-6-9-21)32(17-23-10-7-13-36-23)16-20-14-19-15-22(35-3)11-12-24(19)28-27(20)34/h11-12,14-15,18,21,23,25H,4-10,13,16-17H2,1-3H3,(H,28,34).
What are the key properties of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one?
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 494.64 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3203077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).