N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine

C22H18Cl2N4O2 — CID 71180453

IUPACN-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)nc(-c3cccnc3)nc2cc1OC
InChIInChI=1S/C22H18Cl2N4O2/c1-3-30-20-10-15-18(11-19(20)29-2)27-21(13-5-4-8-25-12-13)28-22(15)26-14-6-7-16(23)17(24)9-14/h4-12H,3H2,1-2H3,(H,26,27,28)
InChIKeyHGKAAQHGQLYREZ-UHFFFAOYSA-N
MW441.32 g/mol
LogP6.15
Rot. Bonds6

About N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine

N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180453) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180453
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC NameN-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)nc(-c3cccnc3)nc2cc1OC
InChIInChI=1S/C22H18Cl2N4O2/c1-3-30-20-10-15-18(11-19(20)29-2)27-21(13-5-4-8-25-12-13)28-22(15)26-14-6-7-16(23)17(24)9-14/h4-12H,3H2,1-2H3,(H,26,27,28)
InChIKeyHGKAAQHGQLYREZ-UHFFFAOYSA-N
XLogP6.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-(3,5-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71273959
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180101
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
CID 15284500
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71691013
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 144501300
6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180077
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine
CID 71180462

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine (CID 71180453) is N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine is CCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)nc(-c3cccnc3)nc2cc1OC.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HGKAAQHGQLYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-3-30-20-10-15-18(11-19(20)29-2)27-21(13-5-4-8-25-12-13)28-22(15)26-14-6-7-16(23)17(24)9-14/h4-12H,3H2,1-2H3,(H,26,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine?
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 441.32 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).