2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C23H29N7O — CID 146079862

IUPAC2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1
InChIInChI=1S/C23H29N7O/c1-17-25-21(15-22(26-17)29-10-12-31-13-11-29)28-6-8-30(9-7-28)23-19(16-24)14-18-4-2-3-5-20(18)27-23/h14-15H,2-13H2,1H3
InChIKeyNLHICGSQZYYQFS-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.09
Rot. Bonds3

About 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 146079862) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID146079862
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1
InChIInChI=1S/C23H29N7O/c1-17-25-21(15-22(26-17)29-10-12-31-13-11-29)28-6-8-30(9-7-28)23-19(16-24)14-18-4-2-3-5-20(18)27-23/h14-15H,2-13H2,1H3
InChIKeyNLHICGSQZYYQFS-UHFFFAOYSA-N
XLogP2.09
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079860
2-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079973
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 112806857
4,6-dimethyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166601275
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 133461049
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 114399435
2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 72842994
2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 171995732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 146079862) is 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1nc(N2CCOCC2)cc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1.
What is the InChIKey of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is NLHICGSQZYYQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-17-25-21(15-22(26-17)29-10-12-31-13-11-29)28-6-8-30(9-7-28)23-19(16-24)14-18-4-2-3-5-20(18)27-23/h14-15H,2-13H2,1H3.
What are the key properties of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 419.53 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 146079862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).