tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate

C19H17F2N3O4 — CID 24777989

IUPACtert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2c(=O)[nH]c3cc(F)c(F)cc3c2=O)cc1
InChIInChI=1S/C19H17F2N3O4/c1-19(2,3)28-18(27)22-10-4-6-11(7-5-10)24-16(25)12-8-13(20)14(21)9-15(12)23-17(24)26/h4-9H,1-3H3,(H,22,27)(H,23,26)
InChIKeyMTXRLJCAOYKSEE-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate

tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate (PubChem CID 24777989) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate
PubChem CID24777989
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Nametert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2c(=O)[nH]c3cc(F)c(F)cc3c2=O)cc1
InChIInChI=1S/C19H17F2N3O4/c1-19(2,3)28-18(27)22-10-4-6-11(7-5-10)24-16(25)12-8-13(20)14(21)9-15(12)23-17(24)26/h4-9H,1-3H3,(H,22,27)(H,23,26)
InChIKeyMTXRLJCAOYKSEE-UHFFFAOYSA-N
XLogP3.30
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate;tert-butyl 2,2-dimethylpropanoate;methyl 2-amino-4,5-difluorobenzoate;methyl 4,5-difluoro-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoylamino]benzoate;methyl 4,5-difluoro-2-[(4-nitrophenoxy)carbonylamino]benzoate;(4-nitrophenyl) carbonochloridate;hydrochloride
CID 158701475
methyl 4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzoate
CID 59556258
tert-butyl N-[4-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)phenyl]carbamate
CID 86690019
sodium;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;hydride
CID 174550376
methyl 2-[[4-[7-fluoro-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4-dioxo-1H-quinazolin-3-yl]benzoyl]amino]-2-(5-methylthiophen-2-yl)acetate
CID 143649337
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethenylamino)-6-fluoro-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
CID 148677372
N'-(5-chlorothiophen-2-yl)sulfonyl-N-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamimidate
CID 136649274
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
[(2S,3R,4R,5S)-4-acetyloxy-1-(4-fluorophenyl)-2,5-bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrrolidin-3-yl] acetate
CID 131731307
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate (CID 24777989) is tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-n2c(=O)[nH]c3cc(F)c(F)cc3c2=O)cc1.
What is the InChIKey of tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate?
The InChIKey is MTXRLJCAOYKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-19(2,3)28-18(27)22-10-4-6-11(7-5-10)24-16(25)12-8-13(20)14(21)9-15(12)23-17(24)26/h4-9H,1-3H3,(H,22,27)(H,23,26).
What are the key properties of tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate?
tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate has a molecular weight of 389.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate is sourced from PubChem (CID 24777989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).