6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

C27H34N6O3 — CID 3203111

IUPAC6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(C(C)C)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C27H34N6O3/c1-19(2)25(26-29-30-31-33(26)14-15-35-3)32(13-12-20-8-6-5-7-9-20)18-22-16-21-17-23(36-4)10-11-24(21)28-27(22)34/h5-11,16-17,19,25H,12-15,18H2,1-4H3,(H,28,34)
InChIKeyJSVLNZRTKTWQFX-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.61
Rot. Bonds12

About 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3203111) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID3203111
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(C(C)C)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C27H34N6O3/c1-19(2)25(26-29-30-31-33(26)14-15-35-3)32(13-12-20-8-6-5-7-9-20)18-22-16-21-17-23(36-4)10-11-24(21)28-27(22)34/h5-11,16-17,19,25H,12-15,18H2,1-4H3,(H,28,34)
InChIKeyJSVLNZRTKTWQFX-UHFFFAOYSA-N
XLogP3.61
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199480
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199035
7-methoxy-3-[[[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1436409
6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199475
3-[[(4-fluorophenyl)methyl-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1464751
3-[[benzyl-[(2-chlorophenyl)methyl]amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 3150373
3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3203086
3-[[[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1465460
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
6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171664
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204341
3-[[cyclohexyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199471

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (CID 3203111) is 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is COCCn1nnnc1C(C(C)C)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is JSVLNZRTKTWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-19(2)25(26-29-30-31-33(26)14-15-35-3)32(13-12-20-8-6-5-7-9-20)18-22-16-21-17-23(36-4)10-11-24(21)28-27(22)34/h5-11,16-17,19,25H,12-15,18H2,1-4H3,(H,28,34).
What are the key properties of 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 490.61 g/mol, XLogP of 3.61, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3203111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).