4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide

C24H25FN4O — CID 146386067

IUPAC4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
SMILESCC1=NC([C@@H]2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)CC=N1
InChIInChI=1S/C24H25FN4O/c1-15-26-14-11-21(27-15)18-3-2-4-20-19(18)9-10-22(28-20)24(12-13-24)29-23(30)16-5-7-17(25)8-6-16/h5-10,14,18,21H,2-4,11-13H2,1H3,(H,29,30)/t18-,21?/m1/s1
InChIKeyRWCWZENHBCGQKW-ITUIMRKVSA-N
MW404.49 g/mol
LogP4.32
Rot. Bonds4

About 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide

4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide (PubChem CID 146386067) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
PubChem CID146386067
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
SMILESCC1=NC([C@@H]2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)CC=N1
InChIInChI=1S/C24H25FN4O/c1-15-26-14-11-21(27-15)18-3-2-4-20-19(18)9-10-22(28-20)24(12-13-24)29-23(30)16-5-7-17(25)8-6-16/h5-10,14,18,21H,2-4,11-13H2,1H3,(H,29,30)/t18-,21?/m1/s1
InChIKeyRWCWZENHBCGQKW-ITUIMRKVSA-N
XLogP4.32
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide (CID 146386067) is 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide is CC1=NC([C@@H]2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)CC=N1.
What is the InChIKey of 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide?
The InChIKey is RWCWZENHBCGQKW-ITUIMRKVSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-15-26-14-11-21(27-15)18-3-2-4-20-19(18)9-10-22(28-20)24(12-13-24)29-23(30)16-5-7-17(25)8-6-16/h5-10,14,18,21H,2-4,11-13H2,1H3,(H,29,30)/t18-,21?/m1/s1.
What are the key properties of 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide?
4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 146386067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).