1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea

C25H26N4O3 — CID 42713839

IUPAC1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
SMILESCOCCn1c(C(C)N(C)C(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H26N4O3/c1-17(23-26-22-13-7-6-12-20(22)24(30)29(23)15-16-32-3)28(2)25(31)27-21-14-8-10-18-9-4-5-11-19(18)21/h4-14,17H,15-16H2,1-3H3,(H,27,31)
InChIKeyMDMDBWFFMLITPQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.42
Rot. Bonds6

About 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea

1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea (PubChem CID 42713839) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
PubChem CID42713839
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
SMILESCOCCn1c(C(C)N(C)C(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H26N4O3/c1-17(23-26-22-13-7-6-12-20(22)24(30)29(23)15-16-32-3)28(2)25(31)27-21-14-8-10-18-9-4-5-11-19(18)21/h4-14,17H,15-16H2,1-3H3,(H,27,31)
InChIKeyMDMDBWFFMLITPQ-UHFFFAOYSA-N
XLogP4.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide
CID 42713785
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42713779
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 42713179
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
3-(2,3-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methoxypropyl)urea
CID 42728617
1-benzyl-3-(2,4-difluorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713196
1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 4032310
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 42721591
N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42713696
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea (CID 42713839) is 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea is COCCn1c(C(C)N(C)C(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea?
The InChIKey is MDMDBWFFMLITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(23-26-22-13-7-6-12-20(22)24(30)29(23)15-16-32-3)28(2)25(31)27-21-14-8-10-18-9-4-5-11-19(18)21/h4-14,17H,15-16H2,1-3H3,(H,27,31).
What are the key properties of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea?
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea has a molecular weight of 430.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea is sourced from PubChem (CID 42713839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).