1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea

C26H19ClN4O2 — CID 122195832

IUPAC1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc2ncncc2cc1OCc1ccc(Cl)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C26H19ClN4O2/c27-20-10-8-17(9-11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-7-3-5-18-4-1-2-6-21(18)22/h1-14,16H,15H2,(H2,30,31,32)
InChIKeyRARKCIJXFHLXEK-UHFFFAOYSA-N
MW454.92 g/mol
LogP6.66
Rot. Bonds5

About 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea

1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea (PubChem CID 122195832) has the molecular formula C26H19ClN4O2 and a molecular weight of 454.92 g/mol. Its IUPAC name is 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
PubChem CID122195832
Molecular FormulaC26H19ClN4O2
Molecular Weight454.92 g/mol
Exact Mass454.12
IUPAC Name1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc2ncncc2cc1OCc1ccc(Cl)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C26H19ClN4O2/c27-20-10-8-17(9-11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-7-3-5-18-4-1-2-6-21(18)22/h1-14,16H,15H2,(H2,30,31,32)
InChIKeyRARKCIJXFHLXEK-UHFFFAOYSA-N
XLogP6.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.92
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea
CID 118709305
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 19405685
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
1-(4-chloro-2,6-dimethylphenyl)-3-naphthalen-1-ylurea
CID 3557641

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea (CID 122195832) is 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea is O=C(Nc1cc2ncncc2cc1OCc1ccc(Cl)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
The InChIKey is RARKCIJXFHLXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O2/c27-20-10-8-17(9-11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-7-3-5-18-4-1-2-6-21(18)22/h1-14,16H,15H2,(H2,30,31,32).
What are the key properties of 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea has a molecular weight of 454.92 g/mol, XLogP of 6.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 122195832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).