N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine

C24H19N5O — CID 22254397

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine
SMILESc1ccc2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C24H19N5O/c1-2-6-17-13-18(12-11-15(17)5-1)30-24-25-20-8-4-3-7-19(20)23(27-24)26-22-14-21(28-29-22)16-9-10-16/h1-8,11-14,16H,9-10H2,(H2,25,26,27,28,29)
InChIKeyMDLMLVGOHXNQAS-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.92
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine (PubChem CID 22254397) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine
PubChem CID22254397
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine
SMILESc1ccc2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C24H19N5O/c1-2-6-17-13-18(12-11-15(17)5-1)30-24-25-20-8-4-3-7-19(20)23(27-24)26-22-14-21(28-29-22)16-9-10-16/h1-8,11-14,16H,9-10H2,(H2,25,26,27,28,29)
InChIKeyMDLMLVGOHXNQAS-UHFFFAOYSA-N
XLogP5.92
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine (CID 22254397) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine is c1ccc2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine?
The InChIKey is MDLMLVGOHXNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-2-6-17-13-18(12-11-15(17)5-1)30-24-25-20-8-4-3-7-19(20)23(27-24)26-22-14-21(28-29-22)16-9-10-16/h1-8,11-14,16H,9-10H2,(H2,25,26,27,28,29).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine has a molecular weight of 393.45 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxyquinazolin-4-amine is sourced from PubChem (CID 22254397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).