tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate

C22H30FN5O6 — CID 91345323

IUPACtert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate
SMILESCOc1c(C(NC(=O)OC(C)(C)C)C2COCCN2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C22H30FN5O6/c1-22(2,3)34-20(30)26-16(14-10-33-8-7-25-14)15-13(23)9-12-17(18(15)32-4)27(11-5-6-11)21(31)28(24)19(12)29/h9,11,14,16,25H,5-8,10,24H2,1-4H3,(H,26,30)
InChIKeyMPJTUWNASROGLV-UHFFFAOYSA-N
MW479.51 g/mol
LogP0.91
Rot. Bonds5

About tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate

tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate (PubChem CID 91345323) has the molecular formula C22H30FN5O6 and a molecular weight of 479.51 g/mol. Its IUPAC name is tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate
PubChem CID91345323
Molecular FormulaC22H30FN5O6
Molecular Weight479.51 g/mol
Exact Mass479.22
IUPAC Nametert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate
SMILESCOc1c(C(NC(=O)OC(C)(C)C)C2COCCN2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C22H30FN5O6/c1-22(2,3)34-20(30)26-16(14-10-33-8-7-25-14)15-13(23)9-12-17(18(15)32-4)27(11-5-6-11)21(31)28(24)19(12)29/h9,11,14,16,25H,5-8,10,24H2,1-4H3,(H,26,30)
InChIKeyMPJTUWNASROGLV-UHFFFAOYSA-N
XLogP0.91
TPSA138.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-4-fluoropyrrolidin-3-yl]carbamate
CID 69074700
tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)-(3-methylpyrrolidin-3-yl)methyl]carbamate
CID 69074697
tert-butyl N-[2-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 58944933
tert-butyl N-[(1R)-1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate
CID 69074390
tert-butyl N-[1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]-2-cyanoethyl]carbamate
CID 69449387
3-amino-7-[(3S,4R)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 69076864
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584
3-amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[methyl-(5,5,5-trifluoro-4-hydroxy-3-methylpentyl)amino]quinazoline-2,4-dione
CID 143016557
tert-butyl N-(8-chloro-1-cyclopropyl-6,7-difluoro-2,4-dioxoquinazolin-3-yl)carbamate
CID 11440606
[(2S)-2-amino-2-[(3R)-1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]urea
CID 69073896
tert-butyl N-[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methoxy-3-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]carbamate
CID 129196050
3-amino-7-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10271056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate (CID 91345323) is tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate is COc1c(C(NC(=O)OC(C)(C)C)C2COCCN2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12.
What is the InChIKey of tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate?
The InChIKey is MPJTUWNASROGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O6/c1-22(2,3)34-20(30)26-16(14-10-33-8-7-25-14)15-13(23)9-12-17(18(15)32-4)27(11-5-6-11)21(31)28(24)19(12)29/h9,11,14,16,25H,5-8,10,24H2,1-4H3,(H,26,30).
What are the key properties of tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate?
tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate has a molecular weight of 479.51 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-morpholin-3-ylmethyl]carbamate is sourced from PubChem (CID 91345323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).