4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide

C19H23FN4O — CID 133460629

IUPAC4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
SMILESCc1nc2c(c(NCCCNC(=O)c3ccc(F)cc3)n1)CCCC2
InChIInChI=1S/C19H23FN4O/c1-13-23-17-6-3-2-5-16(17)18(24-13)21-11-4-12-22-19(25)14-7-9-15(20)10-8-14/h7-10H,2-6,11-12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyPCNNDFKETTXPOS-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.03
Rot. Bonds6

About 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide

4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide (PubChem CID 133460629) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
PubChem CID133460629
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
SMILESCc1nc2c(c(NCCCNC(=O)c3ccc(F)cc3)n1)CCCC2
InChIInChI=1S/C19H23FN4O/c1-13-23-17-6-3-2-5-16(17)18(24-13)21-11-4-12-22-19(25)14-7-9-15(20)10-8-14/h7-10H,2-6,11-12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyPCNNDFKETTXPOS-UHFFFAOYSA-N
XLogP3.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
CID 133321671
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502
4-fluoro-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 110441669
2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide
CID 133321682
4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
CID 3206673
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 122185533

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide (CID 133460629) is 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide is Cc1nc2c(c(NCCCNC(=O)c3ccc(F)cc3)n1)CCCC2.
What is the InChIKey of 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide?
The InChIKey is PCNNDFKETTXPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-23-17-6-3-2-5-16(17)18(24-13)21-11-4-12-22-19(25)14-7-9-15(20)10-8-14/h7-10H,2-6,11-12H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide?
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide has a molecular weight of 342.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide is sourced from PubChem (CID 133460629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).