[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

C19H15ClN4O — CID 109314479

IUPAC[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccnc(Nc2cccc(Cl)c2)n1)N1CCc2ccccc21
InChIInChI=1S/C19H15ClN4O/c20-14-5-3-6-15(12-14)22-19-21-10-8-16(23-19)18(25)24-11-9-13-4-1-2-7-17(13)24/h1-8,10,12H,9,11H2,(H,21,22,23)
InChIKeyRVIKOMUHARFFEI-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.08
Rot. Bonds3

About [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109314479) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109314479
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccnc(Nc2cccc(Cl)c2)n1)N1CCc2ccccc21
InChIInChI=1S/C19H15ClN4O/c20-14-5-3-6-15(12-14)22-19-21-10-8-16(23-19)18(25)24-11-9-13-4-1-2-7-17(13)24/h1-8,10,12H,9,11H2,(H,21,22,23)
InChIKeyRVIKOMUHARFFEI-UHFFFAOYSA-N
XLogP4.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109314533
2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone
CID 109314466
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109314663
3,4-dihydro-2H-quinolin-1-yl-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109314648
3,4-dihydro-2H-quinolin-1-yl-[2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109314651
2,3-dihydroindol-1-yl-[2-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109314490
[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598
2,3-dihydroindol-1-yl-[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109314473
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 109314677
2,3-dihydroindol-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109296005
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109309749

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 109314479) is [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccnc(Nc2cccc(Cl)c2)n1)N1CCc2ccccc21.
What is the InChIKey of [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is RVIKOMUHARFFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-14-5-3-6-15(12-14)22-19-21-10-8-16(23-19)18(25)24-11-9-13-4-1-2-7-17(13)24/h1-8,10,12H,9,11H2,(H,21,22,23).
What are the key properties of [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 350.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109314479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).