6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one

C20H27N6O3+ — CID 7272903

IUPAC6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCOCC3)cc2c1
InChIInChI=1S/C20H26N6O3/c1-3-14-4-5-17-15(12-14)13-16(20(27)21-17)18(25-6-10-29-11-7-25)19-22-23-24-26(19)8-9-28-2/h4-5,12-13,18H,3,6-11H2,1-2H3,(H,21,27)/p+1/t18-/m1/s1
InChIKeyCDDUSGMZZSFWDJ-GOSISDBHSA-O
MW399.48 g/mol
LogP-0.27
Rot. Bonds7

About 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one

6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one (PubChem CID 7272903) has the molecular formula C20H27N6O3+ and a molecular weight of 399.48 g/mol. Its IUPAC name is 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one
PubChem CID7272903
Molecular FormulaC20H27N6O3+
Molecular Weight399.48 g/mol
Exact Mass399.21
IUPAC Name6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCOCC3)cc2c1
InChIInChI=1S/C20H26N6O3/c1-3-14-4-5-17-15(12-14)13-16(20(27)21-17)18(25-6-10-29-11-7-25)19-22-23-24-26(19)8-9-28-2/h4-5,12-13,18H,3,6-11H2,1-2H3,(H,21,27)/p+1/t18-/m1/s1
InChIKeyCDDUSGMZZSFWDJ-GOSISDBHSA-O
XLogP-0.27
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one
CID 7272885
6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one
CID 7273003
6-ethyl-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one
CID 6971640
6-ethoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-pyrrolidin-1-ium-1-ylmethyl]-1H-quinolin-2-one
CID 7273011
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-7,8-dimethyl-1H-quinolin-2-one
CID 7129975
6-ethyl-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 7272883
6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one
CID 7272999
3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3150001
6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 28503240
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 7130096
3-[(S)-2,3-dihydroindol-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40586984
3-[(R)-[benzyl(furan-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 28503244

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one (CID 7272903) is 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCOCC3)cc2c1.
What is the InChIKey of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?
The InChIKey is CDDUSGMZZSFWDJ-GOSISDBHSA-O. The full InChI is InChI=1S/C20H26N6O3/c1-3-14-4-5-17-15(12-14)13-16(20(27)21-17)18(25-6-10-29-11-7-25)19-22-23-24-26(19)8-9-28-2/h4-5,12-13,18H,3,6-11H2,1-2H3,(H,21,27)/p+1/t18-/m1/s1.
What are the key properties of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?
6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one has a molecular weight of 399.48 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 7272903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).