3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride

C17H28Cl2N4O2 — CID 128990766

IUPAC3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
SMILESCC(C)N1CCCCC1C(=O)N1CCc2c(ncn(C)c2=O)C1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-12(2)21-8-5-4-6-15(21)17(23)20-9-7-13-14(10-20)18-11-19(3)16(13)22;;/h11-12,15H,4-10H2,1-3H3;2*1H
InChIKeyQLDAXAGASNWKAM-UHFFFAOYSA-N
MW391.34 g/mol
LogP1.77
Rot. Bonds2

About 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride

3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride (PubChem CID 128990766) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
PubChem CID128990766
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
SMILESCC(C)N1CCCCC1C(=O)N1CCc2c(ncn(C)c2=O)C1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-12(2)21-8-5-4-6-15(21)17(23)20-9-7-13-14(10-20)18-11-19(3)16(13)22;;/h11-12,15H,4-10H2,1-3H3;2*1H
InChIKeyQLDAXAGASNWKAM-UHFFFAOYSA-N
XLogP1.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride (CID 128990766) is 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride is CC(C)N1CCCCC1C(=O)N1CCc2c(ncn(C)c2=O)C1.Cl.Cl.
What is the InChIKey of 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The InChIKey is QLDAXAGASNWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c1-12(2)21-8-5-4-6-15(21)17(23)20-9-7-13-14(10-20)18-11-19(3)16(13)22;;/h11-12,15H,4-10H2,1-3H3;2*1H.
What are the key properties of 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 128990766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).