N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine

C22H29FN4O2 — CID 45247291

About N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45247291) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

• Compound Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
• PubChem CID: 45247291
• Molecular Formula: C22H29FN4O2
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.23
• IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
• SMILES: COc1ccc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cc1F
• InChI: InChI=1S/C22H29FN4O2/c1-22(2)11-18(24-13-15-4-5-20(28-3)17(23)10-15)16-14-25-21(26-19(16)12-22)27-6-8-29-9-7-27/h4-5,10,14,18,24H,6-9,11-13H2,1-3H3
• InChIKey: PKMBCODZOOZORA-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 59.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?

The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine (CID 45247291) is N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine.

What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?

The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine is COc1ccc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cc1F.

What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?

The InChIKey is PKMBCODZOOZORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-22(2)11-18(24-13-15-4-5-20(28-3)17(23)10-15)16-14-25-21(26-19(16)12-22)27-6-8-29-9-7-27/h4-5,10,14,18,24H,6-9,11-13H2,1-3H3.

What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?

N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 400.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45247291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).