2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate

C14H15N3O4 — CID 135401356

IUPAC2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate
SMILESCOCCOC(=O)N/C=C\c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N3O4/c1-20-8-9-21-14(19)15-7-6-12-16-11-5-3-2-4-10(11)13(18)17-12/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17,18)/b7-6-
InChIKeyBDXDWXGIWSTJJN-SREVYHEPSA-N
MW289.29 g/mol
LogP1.27
Rot. Bonds5

About 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate

2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate (PubChem CID 135401356) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate
PubChem CID135401356
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate
SMILESCOCCOC(=O)N/C=C\c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N3O4/c1-20-8-9-21-14(19)15-7-6-12-16-11-5-3-2-4-10(11)13(18)17-12/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17,18)/b7-6-
InChIKeyBDXDWXGIWSTJJN-SREVYHEPSA-N
XLogP1.27
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(4-oxo-3H-quinazolin-2-yl)prop-2-enoate
CID 136732083
2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
CID 137193134
2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135676942
2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925362
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide
CID 135819529
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 135928726

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate (CID 135401356) is 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate is COCCOC(=O)N/C=C\c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate?
The InChIKey is BDXDWXGIWSTJJN-SREVYHEPSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-8-9-21-14(19)15-7-6-12-16-11-5-3-2-4-10(11)13(18)17-12/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17,18)/b7-6-.
What are the key properties of 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate?
2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate has a molecular weight of 289.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate is sourced from PubChem (CID 135401356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).