2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C20H16ClN5O — CID 20826930

IUPAC2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1Cl
InChIInChI=1S/C20H16ClN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26)
InChIKeySAMIQLMBNZKNQT-UHFFFAOYSA-N
MW377.84 g/mol
LogP5.17
Rot. Bonds5

About 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 20826930) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID20826930
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1Cl
InChIInChI=1S/C20H16ClN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26)
InChIKeySAMIQLMBNZKNQT-UHFFFAOYSA-N
XLogP5.17
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.84
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Allitinib
CID 24739943
Epertinib
CID 46701811
(2R)-2-[(4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]-N,N-dimethylpropanamide
CID 11569158
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 23727980
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
(R)-N-(3-chloro-4-(pyrazin-2-ylmethoxy)phenyl)-5-(1-(dimethylamino)propan-2-yloxy)quinazolin-4-amine
CID 11751635
6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine
CID 135401991
N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 71511622
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 20826930) is 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is SAMIQLMBNZKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26).
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 377.84 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 20826930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).