7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione

C16H11ClF2N2O3 — CID 118499608

IUPAC7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H11ClF2N2O3/c17-10-3-6-12-13(7-10)20-16(23)21(14(12)22)8-9-1-4-11(5-2-9)24-15(18)19/h1-7,15H,8H2,(H,20,23)
InChIKeyRTAOHSRLLAQKOM-UHFFFAOYSA-N
MW352.72 g/mol
LogP2.99
Rot. Bonds4

About 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione

7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione (PubChem CID 118499608) has the molecular formula C16H11ClF2N2O3 and a molecular weight of 352.72 g/mol. Its IUPAC name is 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione
PubChem CID118499608
Molecular FormulaC16H11ClF2N2O3
Molecular Weight352.72 g/mol
Exact Mass352.04
IUPAC Name7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H11ClF2N2O3/c17-10-3-6-12-13(7-10)20-16(23)21(14(12)22)8-9-1-4-11(5-2-9)24-15(18)19/h1-7,15H,8H2,(H,20,23)
InChIKeyRTAOHSRLLAQKOM-UHFFFAOYSA-N
XLogP2.99
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262781
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
7-chloro-3-[3-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117263030
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
7,8-difluoro-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498697
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
7-chloro-3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 2412469
2-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N,N-diethylethanesulfonamide
CID 167825587
N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55849337
3-[(3-chlorophenyl)methyl]-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061366

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione (CID 118499608) is 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(Cl)ccc2c(=O)n1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione?
The InChIKey is RTAOHSRLLAQKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O3/c17-10-3-6-12-13(7-10)20-16(23)21(14(12)22)8-9-1-4-11(5-2-9)24-15(18)19/h1-7,15H,8H2,(H,20,23).
What are the key properties of 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione?
7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione has a molecular weight of 352.72 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118499608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).