N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

C22H20N4O — CID 11210489

IUPACN-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCC(C)Oc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C22H20N4O/c1-15(2)27-18-9-7-17(8-10-18)24-22-19-5-3-4-6-20(19)25-21(26-22)16-11-13-23-14-12-16/h3-15H,1-2H3,(H,24,25,26)
InChIKeyFDTHQIUCZALQET-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.22
Rot. Bonds5

About N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 11210489) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID11210489
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCC(C)Oc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C22H20N4O/c1-15(2)27-18-9-7-17(8-10-18)24-22-19-5-3-4-6-20(19)25-21(26-22)16-11-13-23-14-12-16/h3-15H,1-2H3,(H,24,25,26)
InChIKeyFDTHQIUCZALQET-UHFFFAOYSA-N
XLogP5.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 11210489) is N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is CC(C)Oc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is FDTHQIUCZALQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15(2)27-18-9-7-17(8-10-18)24-22-19-5-3-4-6-20(19)25-21(26-22)16-11-13-23-14-12-16/h3-15H,1-2H3,(H,24,25,26).
What are the key properties of N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 11210489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).