2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H24ClN4O2- — CID 90739443

IUPAC2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC[C-](Nc1nc2c(c(=O)n1OC)CNCC2)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN4O2/c1-3-4-5-16(13-6-8-14(20)9-7-13)22-19-23-17-10-11-21-12-15(17)18(25)24(19)26-2/h6-9,21H,3-5,10-12H2,1-2H3,(H,22,23)/q-1
InChIKeyCJPQQNYFEPWFAO-UHFFFAOYSA-N
MW375.88 g/mol
LogP2.78
Rot. Bonds7

About 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 90739443) has the molecular formula C19H24ClN4O2- and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID90739443
Molecular FormulaC19H24ClN4O2-
Molecular Weight375.88 g/mol
Exact Mass375.16
IUPAC Name2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC[C-](Nc1nc2c(c(=O)n1OC)CNCC2)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN4O2/c1-3-4-5-16(13-6-8-14(20)9-7-13)22-19-23-17-10-11-21-12-15(17)18(25)24(19)26-2/h6-9,21H,3-5,10-12H2,1-2H3,(H,22,23)/q-1
InChIKeyCJPQQNYFEPWFAO-UHFFFAOYSA-N
XLogP2.78
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 90739443) is 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCC[C-](Nc1nc2c(c(=O)n1OC)CNCC2)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CJPQQNYFEPWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN4O2/c1-3-4-5-16(13-6-8-14(20)9-7-13)22-19-23-17-10-11-21-12-15(17)18(25)24(19)26-2/h6-9,21H,3-5,10-12H2,1-2H3,(H,22,23)/q-1.
What are the key properties of 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 375.88 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pentylamino]-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 90739443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).