N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine

C26H19ClFN5O — CID 71180973

IUPACN-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(-c2cc(C)c3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C26H19ClFN5O/c1-15-10-18(16-5-8-23(34-2)30-14-16)11-20-24(15)32-25(17-4-3-9-29-13-17)33-26(20)31-19-6-7-22(28)21(27)12-19/h3-14H,1-2H3,(H,31,32,33)
InChIKeyDUYVMALQNAOETO-UHFFFAOYSA-N
MW471.92 g/mol
LogP6.61
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180973) has the molecular formula C26H19ClFN5O and a molecular weight of 471.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180973
Molecular FormulaC26H19ClFN5O
Molecular Weight471.92 g/mol
Exact Mass471.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(-c2cc(C)c3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C26H19ClFN5O/c1-15-10-18(16-5-8-23(34-2)30-14-16)11-20-24(15)32-25(17-4-3-9-29-13-17)33-26(20)31-19-6-7-22(28)21(27)12-19/h3-14H,1-2H3,(H,31,32,33)
InChIKeyDUYVMALQNAOETO-UHFFFAOYSA-N
XLogP6.61
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.92
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71180973) is N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is COc1ccc(-c2cc(C)c3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is DUYVMALQNAOETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O/c1-15-10-18(16-5-8-23(34-2)30-14-16)11-20-24(15)32-25(17-4-3-9-29-13-17)33-26(20)31-19-6-7-22(28)21(27)12-19/h3-14H,1-2H3,(H,31,32,33).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 471.92 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).