2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide

C22H19N5O2 — CID 118961847

IUPAC2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(N)nc2)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H19N5O2/c1-29-19-8-6-15(7-9-19)14-27(21(28)17-11-25-22(23)26-12-17)18-10-16-4-2-3-5-20(16)24-13-18/h2-13H,14H2,1H3,(H2,23,25,26)
InChIKeyJCQJSBZZCRFTPK-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.46
Rot. Bonds5

About 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide

2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide (PubChem CID 118961847) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide
PubChem CID118961847
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(N)nc2)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H19N5O2/c1-29-19-8-6-15(7-9-19)14-27(21(28)17-11-25-22(23)26-12-17)18-10-16-4-2-3-5-20(16)24-13-18/h2-13H,14H2,1H3,(H2,23,25,26)
InChIKeyJCQJSBZZCRFTPK-UHFFFAOYSA-N
XLogP3.46
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733874
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane
CID 143988542
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
N-[4-[2-[3-(3,4-dimethoxyphenyl)propanoyl-(naphthalen-2-ylmethyl)amino]ethyl]phenyl]-N-(naphthalen-2-ylmethyl)quinoline-3-carboxamide
CID 25262064
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 55668766
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 95230216
3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
CID 105081061
ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
CID 165352865

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide (CID 118961847) is 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide is COc1ccc(CN(C(=O)c2cnc(N)nc2)c2cnc3ccccc3c2)cc1.
What is the InChIKey of 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide?
The InChIKey is JCQJSBZZCRFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-19-8-6-15(7-9-19)14-27(21(28)17-11-25-22(23)26-12-17)18-10-16-4-2-3-5-20(16)24-13-18/h2-13H,14H2,1H3,(H2,23,25,26).
What are the key properties of 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide?
2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118961847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).