4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

C21H38FN3O — CID 140882609

About 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (PubChem CID 140882609) has the molecular formula C21H38FN3O and a molecular weight of 367.55 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
• PubChem CID: 140882609
• Molecular Formula: C21H38FN3O
• Molecular Weight: 367.55 g/mol
• Exact Mass: 367.30
• IUPAC Name: 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
• SMILES: CC1CC2C(NCNC2N(C)C)C(F)C1C1CC(O)CC2CCCCC21
• InChI: InChI=1S/C21H38FN3O/c1-12-8-17-20(23-11-24-21(17)25(2)3)19(22)18(12)16-10-14(26)9-13-6-4-5-7-15(13)16/h12-21,23-24,26H,4-11H2,1-3H3
• InChIKey: NKXTWEMDGUUDMY-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 47.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.55
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?

The IUPAC name of 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CID 140882609) is 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

What is the SMILES notation for 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?

The canonical SMILES for 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is CC1CC2C(NCNC2N(C)C)C(F)C1C1CC(O)CC2CCCCC21.

What is the InChIKey of 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?

The InChIKey is NKXTWEMDGUUDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FN3O/c1-12-8-17-20(23-11-24-21(17)25(2)3)19(22)18(12)16-10-14(26)9-13-6-4-5-7-15(13)16/h12-21,23-24,26H,4-11H2,1-3H3.

What are the key properties of 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?

4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol has a molecular weight of 367.55 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(dimethylamino)-8-fluoro-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-7-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is sourced from PubChem (CID 140882609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).