4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile

C32H31N7O2 — CID 118983464

IUPAC4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile
SMILESCOc1cncc(-c2ncc(N3CCOCC3)cc2NC2=C(C)C(c3cc(C)ccn3)=NC3=C(C#N)C=CCC32)c1
InChIInChI=1S/C32H31N7O2/c1-20-7-8-35-27(13-20)30-21(2)29(26-6-4-5-22(16-33)31(26)38-30)37-28-15-24(39-9-11-41-12-10-39)18-36-32(28)23-14-25(40-3)19-34-17-23/h4-5,7-8,13-15,17-19,26,37H,6,9-12H2,1-3H3
InChIKeyZTZMYENXJRUMJW-UHFFFAOYSA-N
MW545.65 g/mol
LogP5.23
Rot. Bonds6

About 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile

4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile (PubChem CID 118983464) has the molecular formula C32H31N7O2 and a molecular weight of 545.65 g/mol. Its IUPAC name is 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile.

Molecular Properties

Compound Name4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile
PubChem CID118983464
Molecular FormulaC32H31N7O2
Molecular Weight545.65 g/mol
Exact Mass545.25
IUPAC Name4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile
SMILESCOc1cncc(-c2ncc(N3CCOCC3)cc2NC2=C(C)C(c3cc(C)ccn3)=NC3=C(C#N)C=CCC32)c1
InChIInChI=1S/C32H31N7O2/c1-20-7-8-35-27(13-20)30-21(2)29(26-6-4-5-22(16-33)31(26)38-30)37-28-15-24(39-9-11-41-12-10-39)18-36-32(28)23-14-25(40-3)19-34-17-23/h4-5,7-8,13-15,17-19,26,37H,6,9-12H2,1-3H3
InChIKeyZTZMYENXJRUMJW-UHFFFAOYSA-N
XLogP5.23
TPSA108.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.65
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile?
The IUPAC name of 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile (CID 118983464) is 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile.
What is the SMILES notation for 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile?
The canonical SMILES for 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile is COc1cncc(-c2ncc(N3CCOCC3)cc2NC2=C(C)C(c3cc(C)ccn3)=NC3=C(C#N)C=CCC32)c1.
What is the InChIKey of 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile?
The InChIKey is ZTZMYENXJRUMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O2/c1-20-7-8-35-27(13-20)30-21(2)29(26-6-4-5-22(16-33)31(26)38-30)37-28-15-24(39-9-11-41-12-10-39)18-36-32(28)23-14-25(40-3)19-34-17-23/h4-5,7-8,13-15,17-19,26,37H,6,9-12H2,1-3H3.
What are the key properties of 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile?
4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile has a molecular weight of 545.65 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)-4a,5-dihydroquinoline-8-carbonitrile is sourced from PubChem (CID 118983464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).