tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate

C17H23N3O4 — CID 11427584

IUPACtert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate
SMILESCOCCn1c(CNC(=O)OC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)18-11-14-19-13-8-6-5-7-12(13)15(21)20(14)9-10-23-4/h5-8H,9-11H2,1-4H3,(H,18,22)
InChIKeyDQZAEQWUGSFWCD-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.07
Rot. Bonds5

About tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate

tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate (PubChem CID 11427584) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate
PubChem CID11427584
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate
SMILESCOCCn1c(CNC(=O)OC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)18-11-14-19-13-8-6-5-7-12(13)15(21)20(14)9-10-23-4/h5-8H,9-11H2,1-4H3,(H,18,22)
InChIKeyDQZAEQWUGSFWCD-UHFFFAOYSA-N
XLogP2.07
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39313481
N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39341503
tert-butyl N-[[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-oxoquinazolin-2-yl]methyl]carbamate
CID 143141149
3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046243
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-1-yl]propane-1-sulfonic acid
CID 134429078
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3971646

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate (CID 11427584) is tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate is COCCn1c(CNC(=O)OC(C)(C)C)nc2ccccc2c1=O.
What is the InChIKey of tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
The InChIKey is DQZAEQWUGSFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)18-11-14-19-13-8-6-5-7-12(13)15(21)20(14)9-10-23-4/h5-8H,9-11H2,1-4H3,(H,18,22).
What are the key properties of tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate is sourced from PubChem (CID 11427584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).