7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine

C18H19N3O — CID 5330305

IUPAC7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccccc3)nc2c1C(C)C
InChIInChI=1S/C18H19N3O/c1-12(2)16-15(22-3)10-9-13-11-19-18(21-17(13)16)20-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,19,20,21)
InChIKeyOEGANMHPKTUOON-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.51
Rot. Bonds4

About 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine

7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine (PubChem CID 5330305) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine
PubChem CID5330305
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccccc3)nc2c1C(C)C
InChIInChI=1S/C18H19N3O/c1-12(2)16-15(22-3)10-9-13-11-19-18(21-17(13)16)20-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,19,20,21)
InChIKeyOEGANMHPKTUOON-UHFFFAOYSA-N
XLogP4.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine?
The IUPAC name of 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine (CID 5330305) is 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine?
The canonical SMILES for 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine is COc1ccc2cnc(Nc3ccccc3)nc2c1C(C)C.
What is the InChIKey of 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine?
The InChIKey is OEGANMHPKTUOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)16-15(22-3)10-9-13-11-19-18(21-17(13)16)20-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,19,20,21).
What are the key properties of 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine?
7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-phenyl-8-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 5330305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).