N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine

C23H21N5 — CID 112932074

IUPACN-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H21N5/c1-15-13-21(28-16(2)14-18-7-3-4-11-20(18)28)27-23(25-15)26-19-10-5-8-17-9-6-12-24-22(17)19/h3-13,16H,14H2,1-2H3,(H,25,26,27)
InChIKeyDOHXOMOFYRLOTI-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.16
Rot. Bonds3

About N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine

N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine (PubChem CID 112932074) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
PubChem CID112932074
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC NameN-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H21N5/c1-15-13-21(28-16(2)14-18-7-3-4-11-20(18)28)27-23(25-15)26-19-10-5-8-17-9-6-12-24-22(17)19/h3-13,16H,14H2,1-2H3,(H,25,26,27)
InChIKeyDOHXOMOFYRLOTI-UHFFFAOYSA-N
XLogP5.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 112927146
N-(2-fluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929425
N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112930529
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929781
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112924004
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932042
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone
CID 109323235
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine?
The IUPAC name of N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine (CID 112932074) is N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine.
What is the SMILES notation for N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine?
The canonical SMILES for N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine is Cc1cc(N2c3ccccc3CC2C)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine?
The InChIKey is DOHXOMOFYRLOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-15-13-21(28-16(2)14-18-7-3-4-11-20(18)28)27-23(25-15)26-19-10-5-8-17-9-6-12-24-22(17)19/h3-13,16H,14H2,1-2H3,(H,25,26,27).
What are the key properties of N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine?
N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine has a molecular weight of 367.46 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine is sourced from PubChem (CID 112932074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).