7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C17H14ClN3O — CID 18087338

IUPAC7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCc3ccccc32)nc2ccc(Cl)cn12
InChIInChI=1S/C17H14ClN3O/c18-13-5-6-16-19-14(9-17(22)21(16)10-13)11-20-8-7-12-3-1-2-4-15(12)20/h1-6,9-10H,7-8,11H2
InChIKeyPJZHMFLVBJJLPV-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.91
Rot. Bonds2

About 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18087338) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID18087338
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCc3ccccc32)nc2ccc(Cl)cn12
InChIInChI=1S/C17H14ClN3O/c18-13-5-6-16-19-14(9-17(22)21(16)10-13)11-20-8-7-12-3-1-2-4-15(12)20/h1-6,9-10H,7-8,11H2
InChIKeyPJZHMFLVBJJLPV-UHFFFAOYSA-N
XLogP2.91
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 18087338) is 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCc3ccccc32)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PJZHMFLVBJJLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-5-6-16-19-14(9-17(22)21(16)10-13)11-20-8-7-12-3-1-2-4-15(12)20/h1-6,9-10H,7-8,11H2.
What are the key properties of 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 311.77 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18087338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).