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

C21H28N6O3 — CID 3199024

IUPAC3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOCCn1nnnc1CN(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C21H28N6O3/c1-29-10-9-27-20(23-24-25-27)14-26(17-5-3-4-6-17)13-16-11-15-7-8-18(30-2)12-19(15)22-21(16)28/h7-8,11-12,17H,3-6,9-10,13-14H2,1-2H3,(H,22,28)
InChIKeyAPHLRNGHVBSDPZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.11
Rot. Bonds9

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

3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 3199024) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID3199024
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOCCn1nnnc1CN(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C21H28N6O3/c1-29-10-9-27-20(23-24-25-27)14-26(17-5-3-4-6-17)13-16-11-15-7-8-18(30-2)12-19(15)22-21(16)28/h7-8,11-12,17H,3-6,9-10,13-14H2,1-2H3,(H,22,28)
InChIKeyAPHLRNGHVBSDPZ-UHFFFAOYSA-N
XLogP2.11
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-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-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171547
ethyl 2-[5-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171569
3-[[cyclohexyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171532
3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 653768
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458
7-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199047
7-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3213032
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199035
3-[[cyclohexyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 652790
3-[[cyclopentyl-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 7382687
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3199032
3-[[(1-benzyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171766

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 3199024) is 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one is COCCn1nnnc1CN(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is APHLRNGHVBSDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-29-10-9-27-20(23-24-25-27)14-26(17-5-3-4-6-17)13-16-11-15-7-8-18(30-2)12-19(15)22-21(16)28/h7-8,11-12,17H,3-6,9-10,13-14H2,1-2H3,(H,22,28).
What are the key properties of 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 412.49 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3199024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).