3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one

C22H25N5O2 — CID 154994483

IUPAC3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one
SMILESCn1cnc2cc(N3CCCc4cc(C(=O)N5CCCCC5)[nH]c43)ccc2c1=O
InChIInChI=1S/C22H25N5O2/c1-25-14-23-18-13-16(7-8-17(18)21(25)28)27-11-5-6-15-12-19(24-20(15)27)22(29)26-9-3-2-4-10-26/h7-8,12-14,24H,2-6,9-11H2,1H3
InChIKeyCDSWFAYRBDBUOG-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.97
Rot. Bonds2

About 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one

3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one (PubChem CID 154994483) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one
PubChem CID154994483
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one
SMILESCn1cnc2cc(N3CCCc4cc(C(=O)N5CCCCC5)[nH]c43)ccc2c1=O
InChIInChI=1S/C22H25N5O2/c1-25-14-23-18-13-16(7-8-17(18)21(25)28)27-11-5-6-15-12-19(24-20(15)27)22(29)26-9-3-2-4-10-26/h7-8,12-14,24H,2-6,9-11H2,1H3
InChIKeyCDSWFAYRBDBUOG-UHFFFAOYSA-N
XLogP2.97
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one (CID 154994483) is 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one is Cn1cnc2cc(N3CCCc4cc(C(=O)N5CCCCC5)[nH]c43)ccc2c1=O.
What is the InChIKey of 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one?
The InChIKey is CDSWFAYRBDBUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25-14-23-18-13-16(7-8-17(18)21(25)28)27-11-5-6-15-12-19(24-20(15)27)22(29)26-9-3-2-4-10-26/h7-8,12-14,24H,2-6,9-11H2,1H3.
What are the key properties of 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one?
3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one has a molecular weight of 391.48 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one is sourced from PubChem (CID 154994483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).