2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H19N5O — CID 172891354

IUPAC2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nc2c(c(=O)[nH]1)CN(c1nc3c(cc1C#N)CCCC3)CC2
InChIInChI=1S/C18H19N5O/c1-11-20-16-6-7-23(10-14(16)18(24)21-11)17-13(9-19)8-12-4-2-3-5-15(12)22-17/h8H,2-7,10H2,1H3,(H,20,21,24)
InChIKeyXGDLMGZBSPHGJR-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.79
Rot. Bonds1

About 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 172891354) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID172891354
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nc2c(c(=O)[nH]1)CN(c1nc3c(cc1C#N)CCCC3)CC2
InChIInChI=1S/C18H19N5O/c1-11-20-16-6-7-23(10-14(16)18(24)21-11)17-13(9-19)8-12-4-2-3-5-15(12)22-17/h8H,2-7,10H2,1H3,(H,20,21,24)
InChIKeyXGDLMGZBSPHGJR-UHFFFAOYSA-N
XLogP1.79
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633
2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62232170
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60711063
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 115559868
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 171996351
2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 171999143
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63607448
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 112806857
2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126863059
2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172893178

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 172891354) is 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1nc2c(c(=O)[nH]1)CN(c1nc3c(cc1C#N)CCCC3)CC2.
What is the InChIKey of 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is XGDLMGZBSPHGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-20-16-6-7-23(10-14(16)18(24)21-11)17-13(9-19)8-12-4-2-3-5-15(12)22-17/h8H,2-7,10H2,1H3,(H,20,21,24).
What are the key properties of 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 172891354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).