6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

C23H19N5O — CID 112848687

IUPAC6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3cccnc23)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H19N5O/c1-15-25-19(14-21(26-15)28-13-11-16-6-2-3-10-20(16)28)23(29)27-18-9-4-7-17-8-5-12-24-22(17)18/h2-10,12,14H,11,13H2,1H3,(H,27,29)
InChIKeyMFCRTMOMSDLUIG-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.28
Rot. Bonds3

About 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 112848687) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID112848687
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3cccnc23)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H19N5O/c1-15-25-19(14-21(26-15)28-13-11-16-6-2-3-10-20(16)28)23(29)27-18-9-4-7-17-8-5-12-24-22(17)18/h2-10,12,14H,11,13H2,1H3,(H,27,29)
InChIKeyMFCRTMOMSDLUIG-UHFFFAOYSA-N
XLogP4.28
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848658
N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848780
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 112848687) is 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2cccc3cccnc23)cc(N2CCc3ccccc32)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is MFCRTMOMSDLUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15-25-19(14-21(26-15)28-13-11-16-6-2-3-10-20(16)28)23(29)27-18-9-4-7-17-8-5-12-24-22(17)18/h2-10,12,14H,11,13H2,1H3,(H,27,29).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).