N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane

C22H26F3N3O2 — CID 171497640

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
SMILESCC(C)C.CC(NC(=O)CN1Cc2cc(F)ccc2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F3N3O2.C4H10/c1-10(14-4-2-13(20)7-15(14)21)22-17(25)9-24-8-11-6-12(19)3-5-16(11)23-18(24)26;1-4(2)3/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,26);4H,1-3H3
InChIKeyBKZRAVLIFTYJDU-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.99
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane

N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane (PubChem CID 171497640) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
PubChem CID171497640
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
SMILESCC(C)C.CC(NC(=O)CN1Cc2cc(F)ccc2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F3N3O2.C4H10/c1-10(14-4-2-13(20)7-15(14)21)22-17(25)9-24-8-11-6-12(19)3-5-16(11)23-18(24)26;1-4(2)3/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,26);4H,1-3H3
InChIKeyBKZRAVLIFTYJDU-UHFFFAOYSA-N
XLogP4.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497300
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497142
N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497028
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171497120
2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 176748887
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171497675
2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 171496880
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-ethoxy-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171496972
(2S)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-4-methylpentanamide
CID 171497112
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171496957
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 176748885
N-[1-(3,5-difluoro-2-pyridinyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 176748857

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane (CID 171497640) is N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane is CC(C)C.CC(NC(=O)CN1Cc2cc(F)ccc2NC1=O)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane?
The InChIKey is BKZRAVLIFTYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2.C4H10/c1-10(14-4-2-13(20)7-15(14)21)22-17(25)9-24-8-11-6-12(19)3-5-16(11)23-18(24)26;1-4(2)3/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,26);4H,1-3H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane?
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane has a molecular weight of 421.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane is sourced from PubChem (CID 171497640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).