3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one

C28H27N5O2 — CID 58386660

IUPAC3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
SMILESCC1CN(C(=O)c2cc(N3CCC(c4cc5ccccc5[nH]c4=O)CC3)ncn2)c2ccccc21
InChIInChI=1S/C28H27N5O2/c1-18-16-33(25-9-5-3-7-21(18)25)28(35)24-15-26(30-17-29-24)32-12-10-19(11-13-32)22-14-20-6-2-4-8-23(20)31-27(22)34/h2-9,14-15,17-19H,10-13,16H2,1H3,(H,31,34)
InChIKeySNUINTCYXRVXBH-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.47
Rot. Bonds3

About 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one

3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one (PubChem CID 58386660) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
PubChem CID58386660
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
SMILESCC1CN(C(=O)c2cc(N3CCC(c4cc5ccccc5[nH]c4=O)CC3)ncn2)c2ccccc21
InChIInChI=1S/C28H27N5O2/c1-18-16-33(25-9-5-3-7-21(18)25)28(35)24-15-26(30-17-29-24)32-12-10-19(11-13-32)22-14-20-6-2-4-8-23(20)31-27(22)34/h2-9,14-15,17-19H,10-13,16H2,1H3,(H,31,34)
InChIKeySNUINTCYXRVXBH-UHFFFAOYSA-N
XLogP4.47
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one (CID 58386660) is 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one is CC1CN(C(=O)c2cc(N3CCC(c4cc5ccccc5[nH]c4=O)CC3)ncn2)c2ccccc21.
What is the InChIKey of 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
The InChIKey is SNUINTCYXRVXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-18-16-33(25-9-5-3-7-21(18)25)28(35)24-15-26(30-17-29-24)32-12-10-19(11-13-32)22-14-20-6-2-4-8-23(20)31-27(22)34/h2-9,14-15,17-19H,10-13,16H2,1H3,(H,31,34).
What are the key properties of 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one has a molecular weight of 465.56 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 58386660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).