2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C19H22ClN5O — CID 146647618

IUPAC2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CNc2cc(Cl)cnc23)nc2c1CCCC2
InChIInChI=1S/C19H22ClN5O/c20-12-9-15-16(21-10-12)19(11-22-15)5-7-25(8-6-19)18-23-14-4-2-1-3-13(14)17(26)24-18/h9-10,22H,1-8,11H2,(H,23,24,26)
InChIKeyFPRAQJQNPZTNJK-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.66
Rot. Bonds1

About 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 146647618) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID146647618
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CNc2cc(Cl)cnc23)nc2c1CCCC2
InChIInChI=1S/C19H22ClN5O/c20-12-9-15-16(21-10-12)19(11-22-15)5-7-25(8-6-19)18-23-14-4-2-1-3-13(14)17(26)24-18/h9-10,22H,1-8,11H2,(H,23,24,26)
InChIKeyFPRAQJQNPZTNJK-UHFFFAOYSA-N
XLogP2.66
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 146647618) is 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCC3(CC2)CNc2cc(Cl)cnc23)nc2c1CCCC2.
What is the InChIKey of 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is FPRAQJQNPZTNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-12-9-15-16(21-10-12)19(11-22-15)5-7-25(8-6-19)18-23-14-4-2-1-3-13(14)17(26)24-18/h9-10,22H,1-8,11H2,(H,23,24,26).
What are the key properties of 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 371.87 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorospiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 146647618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).