3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one

C20H28N6O3 — CID 3213035

IUPAC3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(C)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C20H28N6O3/c1-14-5-6-18-16(11-14)12-17(20(28)21-18)13-25(7-4-9-27)15(2)19-22-23-24-26(19)8-10-29-3/h5-6,11-12,15,27H,4,7-10,13H2,1-3H3,(H,21,28)
InChIKeyGWOGNAOVYUOAEO-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.42
Rot. Bonds10

About 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one

3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3213035) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID3213035
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(C)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C20H28N6O3/c1-14-5-6-18-16(11-14)12-17(20(28)21-18)13-25(7-4-9-27)15(2)19-22-23-24-26(19)8-10-29-3/h5-6,11-12,15,27H,4,7-10,13H2,1-3H3,(H,21,28)
InChIKeyGWOGNAOVYUOAEO-UHFFFAOYSA-N
XLogP1.42
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213043
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213048
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203499
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-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203055
6,7-dimethoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199668
6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199475
6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3203111
3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3695231
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 7116827
3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199355
6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199480

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one (CID 3213035) is 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one is COCCn1nnnc1C(C)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is GWOGNAOVYUOAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-14-5-6-18-16(11-14)12-17(20(28)21-18)13-25(7-4-9-27)15(2)19-22-23-24-26(19)8-10-29-3/h5-6,11-12,15,27H,4,7-10,13H2,1-3H3,(H,21,28).
What are the key properties of 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 400.48 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3213035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).