5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide

C23H21N5O — CID 118870045

IUPAC5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2nc(C)cc(Nc3ccc(-c4cnc(C(N)=O)nc4)cc3)c2c1
InChIInChI=1S/C23H21N5O/c1-13-8-14(2)21-19(9-13)20(10-15(3)27-21)28-18-6-4-16(5-7-18)17-11-25-23(22(24)29)26-12-17/h4-12H,1-3H3,(H2,24,29)(H,27,28)
InChIKeyWKKIDTDKUZKUTH-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.46
Rot. Bonds4

About 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide

5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide (PubChem CID 118870045) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide
PubChem CID118870045
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2nc(C)cc(Nc3ccc(-c4cnc(C(N)=O)nc4)cc3)c2c1
InChIInChI=1S/C23H21N5O/c1-13-8-14(2)21-19(9-13)20(10-15(3)27-21)28-18-6-4-16(5-7-18)17-11-25-23(22(24)29)26-12-17/h4-12H,1-3H3,(H2,24,29)(H,27,28)
InChIKeyWKKIDTDKUZKUTH-UHFFFAOYSA-N
XLogP4.46
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
CID 696659
N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine
CID 118900854
methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate
CID 125468160
3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride
CID 2790794
N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide
CID 118870036
2,7,8-trimethyl-N-(4-methylphenyl)quinolin-4-amine
CID 743492
2-(3,4-dimethoxyphenyl)-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 42589559
N-(2,4-dimethoxyphenyl)-2,6,8-trimethylquinolin-4-amine;hydrochloride
CID 2790789
N-(2,6,8-trimethylquinolin-4-yl)cyclohexanecarboxamide
CID 43853809
2-naphthalen-2-yloxy-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 43853778
3-(2,6,8-trimethylquinolin-4-yl)propanamide
CID 82578430
2-thiophen-2-yl-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 42589555

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide (CID 118870045) is 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide is Cc1cc(C)c2nc(C)cc(Nc3ccc(-c4cnc(C(N)=O)nc4)cc3)c2c1.
What is the InChIKey of 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide?
The InChIKey is WKKIDTDKUZKUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-13-8-14(2)21-19(9-13)20(10-15(3)27-21)28-18-6-4-16(5-7-18)17-11-25-23(22(24)29)26-12-17/h4-12H,1-3H3,(H2,24,29)(H,27,28).
What are the key properties of 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide?
5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 118870045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).