7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione

C19H19ClN2O4 — CID 3331192

IUPAC7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione
SMILESCC(C)(C)C(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2O4/c1-19(2,3)16(23)11-21-15-9-12(20)6-7-14(15)17(24)22(18(21)25)10-13-5-4-8-26-13/h4-9H,10-11H2,1-3H3
InChIKeyMIHZSHCMJSJQFU-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.07
Rot. Bonds4

About 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione

7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione (PubChem CID 3331192) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione
PubChem CID3331192
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione
SMILESCC(C)(C)C(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2O4/c1-19(2,3)16(23)11-21-15-9-12(20)6-7-14(15)17(24)22(18(21)25)10-13-5-4-8-26-13/h4-9H,10-11H2,1-3H3
InChIKeyMIHZSHCMJSJQFU-UHFFFAOYSA-N
XLogP3.07
TPSA74.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 4614899
2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3525347
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429609
N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429918
N-(3-chloro-4-methylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502149
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7558522
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 22430102
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486111
N-[4-(dimethylamino)phenyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51363024
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione (CID 3331192) is 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione is CC(C)(C)C(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione?
The InChIKey is MIHZSHCMJSJQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-19(2,3)16(23)11-21-15-9-12(20)6-7-14(15)17(24)22(18(21)25)10-13-5-4-8-26-13/h4-9H,10-11H2,1-3H3.
What are the key properties of 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione?
7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione has a molecular weight of 374.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 3331192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).