6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one

C29H37N7O2 — CID 3204705

IUPAC6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCc1ccccc1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C29H37N7O2/c1-3-27(28-31-32-33-36(28)12-11-23-7-5-4-6-8-23)35(14-13-34-15-17-38-18-16-34)21-25-20-24-19-22(2)9-10-26(24)30-29(25)37/h4-10,19-20,27H,3,11-18,21H2,1-2H3,(H,30,37)
InChIKeyPOLWOFSDJIJGCH-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.35
Rot. Bonds11

About 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one

6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3204705) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
PubChem CID3204705
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC Name6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCc1ccccc1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C29H37N7O2/c1-3-27(28-31-32-33-36(28)12-11-23-7-5-4-6-8-23)35(14-13-34-15-17-38-18-16-34)21-25-20-24-19-22(2)9-10-26(24)30-29(25)37/h4-10,19-20,27H,3,11-18,21H2,1-2H3,(H,30,37)
InChIKeyPOLWOFSDJIJGCH-UHFFFAOYSA-N
XLogP3.35
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-methyl-3-[[[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1465415
6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3201052
3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204690
3-[[[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1465460
7-methyl-3-[[[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1464628
8-[[(4-fluorophenyl)methyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3199636
6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1454854
7-[[(4-fluorophenyl)methyl-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 98103970
3-[[cyclohexyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204150
6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199480
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-[2-(3-methylphenyl)ethyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 98104165
3-[[(4-fluorophenyl)methyl-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1464751

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one (CID 3204705) is 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one is CCC(c1nnnn1CCc1ccccc1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is POLWOFSDJIJGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-3-27(28-31-32-33-36(28)12-11-23-7-5-4-6-8-23)35(14-13-34-15-17-38-18-16-34)21-25-20-24-19-22(2)9-10-26(24)30-29(25)37/h4-10,19-20,27H,3,11-18,21H2,1-2H3,(H,30,37).
What are the key properties of 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 515.66 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3204705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).