3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

C26H39N7O2 — CID 1438057

IUPAC3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(CCN3CCOCC3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C26H39N7O2/c1-18(2)23(24-28-29-30-33(24)26(4,5)6)32(11-10-31-12-14-35-15-13-31)17-21-16-20-9-7-8-19(3)22(20)27-25(21)34/h7-9,16,18,23H,10-15,17H2,1-6H3,(H,27,34)/t23-/m0/s1
InChIKeyUMZLROHVQDEQLD-QHCPKHFHSA-N
MW481.65 g/mol
LogP3.11
Rot. Bonds8

About 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 1438057) has the molecular formula C26H39N7O2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID1438057
Molecular FormulaC26H39N7O2
Molecular Weight481.65 g/mol
Exact Mass481.32
IUPAC Name3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(CCN3CCOCC3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C26H39N7O2/c1-18(2)23(24-28-29-30-33(24)26(4,5)6)32(11-10-31-12-14-35-15-13-31)17-21-16-20-9-7-8-19(3)22(20)27-25(21)34/h7-9,16,18,23H,10-15,17H2,1-6H3,(H,27,34)/t23-/m0/s1
InChIKeyUMZLROHVQDEQLD-QHCPKHFHSA-N
XLogP3.11
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204405
3-[[(1-tert-butyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170864
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 51625369
8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3204335
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204216
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(3-hydroxypropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 7382767
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-[2-(2-methylphenyl)ethyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204346
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204177
3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204467
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3203374
8-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one
CID 3182863
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 4072418

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one (CID 1438057) is 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CN(CCN3CCOCC3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12.
What is the InChIKey of 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is UMZLROHVQDEQLD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H39N7O2/c1-18(2)23(24-28-29-30-33(24)26(4,5)6)32(11-10-31-12-14-35-15-13-31)17-21-16-20-9-7-8-19(3)22(20)27-25(21)34/h7-9,16,18,23H,10-15,17H2,1-6H3,(H,27,34)/t23-/m0/s1.
What are the key properties of 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 481.65 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1438057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).