N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine

C22H23N3O — CID 133473601

IUPACN-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine
SMILESc1ccc(-c2nc(NC3CCOC(C4CC4)C3)nc3ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-2-6-16(7-3-1)21-18-8-4-5-9-19(18)24-22(25-21)23-17-12-13-26-20(14-17)15-10-11-15/h1-9,15,17,20H,10-14H2,(H,23,24,25)
InChIKeyBDJLSDUVJAZLKH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.67
Rot. Bonds4

About N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine

N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine (PubChem CID 133473601) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine
PubChem CID133473601
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine
SMILESc1ccc(-c2nc(NC3CCOC(C4CC4)C3)nc3ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-2-6-16(7-3-1)21-18-8-4-5-9-19(18)24-22(25-21)23-17-12-13-26-20(14-17)15-10-11-15/h1-9,15,17,20H,10-14H2,(H,23,24,25)
InChIKeyBDJLSDUVJAZLKH-UHFFFAOYSA-N
XLogP4.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine (CID 133473601) is N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine is c1ccc(-c2nc(NC3CCOC(C4CC4)C3)nc3ccccc23)cc1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine?
The InChIKey is BDJLSDUVJAZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-6-16(7-3-1)21-18-8-4-5-9-19(18)24-22(25-21)23-17-12-13-26-20(14-17)15-10-11-15/h1-9,15,17,20H,10-14H2,(H,23,24,25).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine?
N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine has a molecular weight of 345.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 133473601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).