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

C21H25FN4O2 — CID 45197284

IUPAC4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
SMILESO=C(NC1CCCc2nc(N3CCC(CO)CC3)ncc21)c1ccc(F)cc1
InChIInChI=1S/C21H25FN4O2/c22-16-6-4-15(5-7-16)20(28)24-18-2-1-3-19-17(18)12-23-21(25-19)26-10-8-14(13-27)9-11-26/h4-7,12,14,18,27H,1-3,8-11,13H2,(H,24,28)
InChIKeyKTODXFPVZDSSTD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.63
Rot. Bonds4

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

4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide (PubChem CID 45197284) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
PubChem CID45197284
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
SMILESO=C(NC1CCCc2nc(N3CCC(CO)CC3)ncc21)c1ccc(F)cc1
InChIInChI=1S/C21H25FN4O2/c22-16-6-4-15(5-7-16)20(28)24-18-2-1-3-19-17(18)12-23-21(25-19)26-10-8-14(13-27)9-11-26/h4-7,12,14,18,27H,1-3,8-11,13H2,(H,24,28)
InChIKeyKTODXFPVZDSSTD-UHFFFAOYSA-N
XLogP2.63
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide
CID 44325025
2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609657
2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609658
N-[3-[7-(2-hydroxyethylamino)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 11191242
4-Fluoro-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 11338122
N-[(1R)-1-(3,4-difluorophenyl)propyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645250
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-(3-hydroxypropyl)-N-methylbenzamide
CID 58072814
N-[3-[2-[4-(2-hydroxyethylcarbamoyl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 68253304
4-phenyl-N-[4-[propyl(5,6,7,8-tetrahydroquinazolin-6-yl)amino]butyl]benzamide
CID 44324801
N-[4-[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-methylamino]butyl]-4-phenylbenzamide
CID 44324978
N-[4-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-propylamino]butyl]-4-phenylbenzamide
CID 44325021
N-[4-[[2-(methylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-propylamino]butyl]-4-phenylbenzamide
CID 44325026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide (CID 45197284) is 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide is O=C(NC1CCCc2nc(N3CCC(CO)CC3)ncc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
The InChIKey is KTODXFPVZDSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-16-6-4-15(5-7-16)20(28)24-18-2-1-3-19-17(18)12-23-21(25-19)26-10-8-14(13-27)9-11-26/h4-7,12,14,18,27H,1-3,8-11,13H2,(H,24,28).
What are the key properties of 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide is sourced from PubChem (CID 45197284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).