N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide

C18H25F3N4O2 — CID 26409994

IUPACN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)CCC(F)(F)F)C1
InChIInChI=1S/C18H25F3N4O2/c1-17(2)9-13(23-15(26)3-4-18(19,20)21)12-11-22-16(24-14(12)10-17)25-5-7-27-8-6-25/h11,13H,3-10H2,1-2H3,(H,23,26)/t13-/m0/s1
InChIKeyGWJSZQOPXSCDLV-ZDUSSCGKSA-N
MW386.42 g/mol
LogP2.79
Rot. Bonds4

About N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide

N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide (PubChem CID 26409994) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide
PubChem CID26409994
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)CCC(F)(F)F)C1
InChIInChI=1S/C18H25F3N4O2/c1-17(2)9-13(23-15(26)3-4-18(19,20)21)12-11-22-16(24-14(12)10-17)25-5-7-27-8-6-25/h11,13H,3-10H2,1-2H3,(H,23,26)/t13-/m0/s1
InChIKeyGWJSZQOPXSCDLV-ZDUSSCGKSA-N
XLogP2.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4R)-1-methyl-3-(trifluoromethyl)piperidin-4-yl]methanone
CID 163200292
N~1~-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-N~2~,N~2~-dimethylglycinamide
CID 45202946
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide
CID 45230277
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-4-(dimethylamino)butanamide
CID 45245336
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-(methylamino)acetamide
CID 72857480
2-amino-N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72868715
1-amino-N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)cyclopropanecarboxamide hydrochloride
CID 72906674
2-methyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237938
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide
CID 110237940
2-cyclohexyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 110237941
2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 110237945
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237950

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide (CID 26409994) is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide is CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)CCC(F)(F)F)C1.
What is the InChIKey of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide?
The InChIKey is GWJSZQOPXSCDLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-17(2)9-13(23-15(26)3-4-18(19,20)21)12-11-22-16(24-14(12)10-17)25-5-7-27-8-6-25/h11,13H,3-10H2,1-2H3,(H,23,26)/t13-/m0/s1.
What are the key properties of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide?
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide has a molecular weight of 386.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 26409994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).