5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine

C23H22N6O — CID 163290255

IUPAC5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2ccc3c(c2)CCN3Cc2cnc(N)nc2N)c2cccnc12
InChIInChI=1S/C23H22N6O/c1-30-20-7-5-17(18-3-2-9-26-21(18)20)14-4-6-19-15(11-14)8-10-29(19)13-16-12-27-23(25)28-22(16)24/h2-7,9,11-12H,8,10,13H2,1H3,(H4,24,25,27,28)
InChIKeyLNGASKNNRRTISU-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.43
Rot. Bonds4

About 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine

5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 163290255) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine
PubChem CID163290255
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2ccc3c(c2)CCN3Cc2cnc(N)nc2N)c2cccnc12
InChIInChI=1S/C23H22N6O/c1-30-20-7-5-17(18-3-2-9-26-21(18)20)14-4-6-19-15(11-14)8-10-29(19)13-16-12-27-23(25)28-22(16)24/h2-7,9,11-12H,8,10,13H2,1H3,(H4,24,25,27,28)
InChIKeyLNGASKNNRRTISU-UHFFFAOYSA-N
XLogP3.43
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-[1-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]naphthalene-2-carboxylic acid
CID 163290206
5-[(5-dibenzofuran-3-yl-2,3-dihydroindol-1-yl)methyl]pyrimidine-2,4-diamine;trihydrochloride
CID 163290336
2-[4-[1-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]phenyl]acetic acid;trihydrochloride
CID 175760886
5-amino-1-cyclopropyl-7-[1-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 163290146
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133
7-[1-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]-6-fluoro-1-(4-fluorophenyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid;dihydrochloride
CID 163290191
1-cyclopropyl-7-[1-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]-4-oxoquinoline-3-carboxylic acid
CID 163290264
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 69226902
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
(2S)-6-[1-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 163290216

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine (CID 163290255) is 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine is COc1ccc(-c2ccc3c(c2)CCN3Cc2cnc(N)nc2N)c2cccnc12.
What is the InChIKey of 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is LNGASKNNRRTISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-30-20-7-5-17(18-3-2-9-26-21(18)20)14-4-6-19-15(11-14)8-10-29(19)13-16-12-27-23(25)28-22(16)24/h2-7,9,11-12H,8,10,13H2,1H3,(H4,24,25,27,28).
What are the key properties of 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine?
5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 398.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(8-methoxyquinolin-5-yl)-2,3-dihydroindol-1-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 163290255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).