2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C20H22ClN3O — CID 68856758

IUPAC2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C20H21N3O.ClH/c1-2-3-6-17-19(15-8-9-16-14(13-15)10-11-21-16)20(24)23-12-5-4-7-18(23)22-17;/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3;1H
InChIKeyLOMXDTPCNOZVAA-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.09
Rot. Bonds4

About 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 68856758) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID68856758
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C20H21N3O.ClH/c1-2-3-6-17-19(15-8-9-16-14(13-15)10-11-21-16)20(24)23-12-5-4-7-18(23)22-17;/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3;1H
InChIKeyLOMXDTPCNOZVAA-UHFFFAOYSA-N
XLogP4.09
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 68856758) is 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2.Cl.
What is the InChIKey of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is LOMXDTPCNOZVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.ClH/c1-2-3-6-17-19(15-8-9-16-14(13-15)10-11-21-16)20(24)23-12-5-4-7-18(23)22-17;/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3;1H.
What are the key properties of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 68856758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).