[(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate

C19H24FN3O3 — CID 142732143

IUPAC[(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate
SMILESCC[C@H](OC(=O)NC(C)(C)C)c1nc2cccc(F)c2c(=O)n1C1CC1
InChIInChI=1S/C19H24FN3O3/c1-5-14(26-18(25)22-19(2,3)4)16-21-13-8-6-7-12(20)15(13)17(24)23(16)11-9-10-11/h6-8,11,14H,5,9-10H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyQYSJXPDRRCMHII-AWEZNQCLSA-N
MW361.42 g/mol
LogP3.85
Rot. Bonds4

About [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate

[(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate (PubChem CID 142732143) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate
PubChem CID142732143
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name[(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate
SMILESCC[C@H](OC(=O)NC(C)(C)C)c1nc2cccc(F)c2c(=O)n1C1CC1
InChIInChI=1S/C19H24FN3O3/c1-5-14(26-18(25)22-19(2,3)4)16-21-13-8-6-7-12(20)15(13)17(24)23(16)11-9-10-11/h6-8,11,14H,5,9-10H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyQYSJXPDRRCMHII-AWEZNQCLSA-N
XLogP3.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate?
The IUPAC name of [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate (CID 142732143) is [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate?
The canonical SMILES for [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate is CC[C@H](OC(=O)NC(C)(C)C)c1nc2cccc(F)c2c(=O)n1C1CC1.
What is the InChIKey of [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate?
The InChIKey is QYSJXPDRRCMHII-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-5-14(26-18(25)22-19(2,3)4)16-21-13-8-6-7-12(20)15(13)17(24)23(16)11-9-10-11/h6-8,11,14H,5,9-10H2,1-4H3,(H,22,25)/t14-/m0/s1.
What are the key properties of [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate?
[(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate has a molecular weight of 361.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate is sourced from PubChem (CID 142732143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).