N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine

C23H21ClN4O2 — CID 144501300

IUPACN-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOCCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc(C)c(Cl)c3)c2c1
InChIInChI=1S/C23H21ClN4O2/c1-15-5-6-17(12-20(15)24)26-23-19-13-18(30-11-10-29-2)7-8-21(19)27-22(28-23)16-4-3-9-25-14-16/h3-9,12-14H,10-11H2,1-2H3,(H,26,27,28)
InChIKeyGNCQOPQPLKETKW-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.42
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 144501300) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID144501300
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOCCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc(C)c(Cl)c3)c2c1
InChIInChI=1S/C23H21ClN4O2/c1-15-5-6-17(12-20(15)24)26-23-19-13-18(30-11-10-29-2)7-8-21(19)27-22(28-23)16-4-3-9-25-14-16/h3-9,12-14H,10-11H2,1-2H3,(H,26,27,28)
InChIKeyGNCQOPQPLKETKW-UHFFFAOYSA-N
XLogP5.42
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
4-(3-chloro-4-fluoroanilino)-N-(2,2-dimethoxyethyl)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 89347895
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
CID 89417197
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180101
N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine
CID 71180462

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine (CID 144501300) is N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine is COCCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc(C)c(Cl)c3)c2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is GNCQOPQPLKETKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-5-6-17(12-20(15)24)26-23-19-13-18(30-11-10-29-2)7-8-21(19)27-22(28-23)16-4-3-9-25-14-16/h3-9,12-14H,10-11H2,1-2H3,(H,26,27,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 420.90 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 144501300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).