4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide

C18H25F3N4O2 — CID 45220295

IUPAC4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
SMILESO=C(CCC(F)(F)F)NC1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C18H25F3N4O2/c19-18(20,21)7-4-16(27)23-14-2-1-3-15-13(14)10-22-17(24-15)25-8-5-12(11-26)6-9-25/h10,12,14,26H,1-9,11H2,(H,23,27)
InChIKeyYYDAJLNVWWQKGH-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.52
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide

4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide (PubChem CID 45220295) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
PubChem CID45220295
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
SMILESO=C(CCC(F)(F)F)NC1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C18H25F3N4O2/c19-18(20,21)7-4-16(27)23-14-2-1-3-15-13(14)10-22-17(24-15)25-8-5-12(11-26)6-9-25/h10,12,14,26H,1-9,11H2,(H,23,27)
InChIKeyYYDAJLNVWWQKGH-UHFFFAOYSA-N
XLogP2.52
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide with MolForge

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Related Compounds

[(6R)-6-methyl-2-[[(3S)-piperidin-3-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(trifluoromethyl)piperidin-4-yl]methanone
CID 163200296
[(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-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide
CID 45230277
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
N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237962
N~6~-butyl-2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide
CID 53193940
N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835821
N~6~-Isopropyl-2-piperidino-5,6,7,8-tetrahydro-6-quinazolinecarboxamide
CID 71836087

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide (CID 45220295) is 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide is O=C(CCC(F)(F)F)NC1CCCc2nc(N3CCC(CO)CC3)ncc21.
What is the InChIKey of 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
The InChIKey is YYDAJLNVWWQKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c19-18(20,21)7-4-16(27)23-14-2-1-3-15-13(14)10-22-17(24-15)25-8-5-12(11-26)6-9-25/h10,12,14,26H,1-9,11H2,(H,23,27).
What are the key properties of 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide has a molecular weight of 386.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide is sourced from PubChem (CID 45220295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).