2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide

C18H20F2N4O — CID 126855492

IUPAC2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
SMILESCN(C)c1ncc2c(n1)CCC(NC(=O)Cc1ccc(F)cc1F)C2
InChIInChI=1S/C18H20F2N4O/c1-24(2)18-21-10-12-7-14(5-6-16(12)23-18)22-17(25)8-11-3-4-13(19)9-15(11)20/h3-4,9-10,14H,5-8H2,1-2H3,(H,22,25)
InChIKeyHUIDMWYFFHBLMI-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide

2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide (PubChem CID 126855492) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
PubChem CID126855492
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
SMILESCN(C)c1ncc2c(n1)CCC(NC(=O)Cc1ccc(F)cc1F)C2
InChIInChI=1S/C18H20F2N4O/c1-24(2)18-21-10-12-7-14(5-6-16(12)23-18)22-17(25)8-11-3-4-13(19)9-15(11)20/h3-4,9-10,14H,5-8H2,1-2H3,(H,22,25)
InChIKeyHUIDMWYFFHBLMI-UHFFFAOYSA-N
XLogP2.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
CID 126853932
2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
CID 126853934
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide
CID 126853925
2-(2,4-difluorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 110488908
2-(2-chloro-4-fluorophenyl)-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026769
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanone
CID 79062774
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide
CID 68679841
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 126853951
1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 155800879

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide (CID 126855492) is 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide is CN(C)c1ncc2c(n1)CCC(NC(=O)Cc1ccc(F)cc1F)C2.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The InChIKey is HUIDMWYFFHBLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-24(2)18-21-10-12-7-14(5-6-16(12)23-18)22-17(25)8-11-3-4-13(19)9-15(11)20/h3-4,9-10,14H,5-8H2,1-2H3,(H,22,25).
What are the key properties of 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide is sourced from PubChem (CID 126855492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).