5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile

C29H35N7O — CID 159190451

IUPAC5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCN(c3cc4c(cn3)C[C@H](C)NC4)CC2)O1
InChIInChI=1S/C29H35N7O/c1-20-12-23-16-33-28(13-24(23)15-32-20)35-10-8-34(9-11-35)18-25-19-36(17-21(2)37-25)27-6-5-22(14-30)29-26(27)4-3-7-31-29/h3-7,13,16,20-21,25,32H,8-12,15,17-19H2,1-2H3/t20-,21+,25-/m0/s1
InChIKeyKOACSZUGTWKSAL-BKSPAHHJSA-N
MW497.65 g/mol
LogP2.95
Rot. Bonds4

About 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 159190451) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID159190451
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC Name5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCN(c3cc4c(cn3)C[C@H](C)NC4)CC2)O1
InChIInChI=1S/C29H35N7O/c1-20-12-23-16-33-28(13-24(23)15-32-20)35-10-8-34(9-11-35)18-25-19-36(17-21(2)37-25)27-6-5-22(14-30)29-26(27)4-3-7-31-29/h3-7,13,16,20-21,25,32H,8-12,15,17-19H2,1-2H3/t20-,21+,25-/m0/s1
InChIKeyKOACSZUGTWKSAL-BKSPAHHJSA-N
XLogP2.95
TPSA80.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 159190451) is 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCN(c3cc4c(cn3)C[C@H](C)NC4)CC2)O1.
What is the InChIKey of 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is KOACSZUGTWKSAL-BKSPAHHJSA-N. The full InChI is InChI=1S/C29H35N7O/c1-20-12-23-16-33-28(13-24(23)15-32-20)35-10-8-34(9-11-35)18-25-19-36(17-21(2)37-25)27-6-5-22(14-30)29-26(27)4-3-7-31-29/h3-7,13,16,20-21,25,32H,8-12,15,17-19H2,1-2H3/t20-,21+,25-/m0/s1.
What are the key properties of 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 497.65 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2-methyl-6-[[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 159190451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).