6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

C23H21N5O2 — CID 109370264

IUPAC6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C23H21N5O2/c1-15-26-19(13-21(27-15)25-14-17-7-3-4-11-20(17)30-2)23(29)28-18-10-5-8-16-9-6-12-24-22(16)18/h3-13H,14H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyHXGXKVNHJIJLGF-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.21
Rot. Bonds6

About 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109370264) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109370264
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C23H21N5O2/c1-15-26-19(13-21(27-15)25-14-17-7-3-4-11-20(17)30-2)23(29)28-18-10-5-8-16-9-6-12-24-22(16)18/h3-13H,14H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyHXGXKVNHJIJLGF-UHFFFAOYSA-N
XLogP4.21
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
N-(2-methoxy-5-methylphenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370258
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
N-[(2-methoxyphenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370200
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370215
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
N-(3-cyanophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370268
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369995
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109327440
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109370264) is 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is COc1ccccc1CNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is HXGXKVNHJIJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-26-19(13-21(27-15)25-14-17-7-3-4-11-20(17)30-2)23(29)28-18-10-5-8-16-9-6-12-24-22(16)18/h3-13H,14H2,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).