3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one

C20H26N6O3 — CID 7130025

IUPAC3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCOCC1
InChIInChI=1S/C20H26N6O3/c1-13-10-14(2)17-15(11-13)12-16(20(27)21-17)18(25-4-8-29-9-5-25)19-22-23-24-26(19)6-7-28-3/h10-12,18H,4-9H2,1-3H3,(H,21,27)/t18-/m0/s1
InChIKeyLISOXAIOGAGHFI-SFHVURJKSA-N
MW398.47 g/mol
LogP1.20
Rot. Bonds6

About 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one

3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 7130025) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID7130025
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCOCC1
InChIInChI=1S/C20H26N6O3/c1-13-10-14(2)17-15(11-13)12-16(20(27)21-17)18(25-4-8-29-9-5-25)19-22-23-24-26(19)6-7-28-3/h10-12,18H,4-9H2,1-3H3,(H,21,27)/t18-/m0/s1
InChIKeyLISOXAIOGAGHFI-SFHVURJKSA-N
XLogP1.20
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
CID 7130065
3-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3187402
3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3150224
6,8-dimethyl-3-[(R)-morpholin-4-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1145658
7-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 28503490
3-[(1-cyclohexyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3175364
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 7272941
3-[(S)-azepan-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 7272952
3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 7129988
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-[(R)-(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1145614

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one (CID 7130025) is 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one is COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCOCC1.
What is the InChIKey of 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is LISOXAIOGAGHFI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-10-14(2)17-15(11-13)12-16(20(27)21-17)18(25-4-8-29-9-5-25)19-22-23-24-26(19)6-7-28-3/h10-12,18H,4-9H2,1-3H3,(H,21,27)/t18-/m0/s1.
What are the key properties of 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 398.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 7130025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).