N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine

C23H16Cl2N6O — CID 71273676

IUPACN-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4cc(Cl)cc(Cl)c4)[nH]n3)c2c1
InChIInChI=1S/C23H16Cl2N6O/c1-32-17-4-5-19-18(10-17)23(29-22(27-19)13-3-2-6-26-12-13)28-21-11-20(30-31-21)14-7-15(24)9-16(25)8-14/h2-12H,1H3,(H2,27,28,29,30,31)
InChIKeyMUVPMICTDGODPX-UHFFFAOYSA-N
MW463.33 g/mol
LogP6.14
Rot. Bonds5

About N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine

N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71273676) has the molecular formula C23H16Cl2N6O and a molecular weight of 463.33 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71273676
Molecular FormulaC23H16Cl2N6O
Molecular Weight463.33 g/mol
Exact Mass462.08
IUPAC NameN-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4cc(Cl)cc(Cl)c4)[nH]n3)c2c1
InChIInChI=1S/C23H16Cl2N6O/c1-32-17-4-5-19-18(10-17)23(29-22(27-19)13-3-2-6-26-12-13)28-21-11-20(30-31-21)14-7-15(24)9-16(25)8-14/h2-12H,1H3,(H2,27,28,29,30,31)
InChIKeyMUVPMICTDGODPX-UHFFFAOYSA-N
XLogP6.14
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.33
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
6-methoxy-N-(1-methylindol-2-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181123
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89347866
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89348061
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (CID 71273676) is N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4cc(Cl)cc(Cl)c4)[nH]n3)c2c1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is MUVPMICTDGODPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O/c1-32-17-4-5-19-18(10-17)23(29-22(27-19)13-3-2-6-26-12-13)28-21-11-20(30-31-21)14-7-15(24)9-16(25)8-14/h2-12H,1H3,(H2,27,28,29,30,31).
What are the key properties of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 463.33 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71273676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).