1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea

C23H19FN4O2 — CID 118709308

IUPAC1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O2/c1-15-2-8-19(9-3-15)27-23(29)28-21-11-20-17(12-25-14-26-20)10-22(21)30-13-16-4-6-18(24)7-5-16/h2-12,14H,13H2,1H3,(H2,27,28,29)
InChIKeyZHLQFQWSONKMGT-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.30
Rot. Bonds5

About 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea

1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea (PubChem CID 118709308) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea
PubChem CID118709308
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O2/c1-15-2-8-19(9-3-15)27-23(29)28-21-11-20-17(12-25-14-26-20)10-22(21)30-13-16-4-6-18(24)7-5-16/h2-12,14H,13H2,1H3,(H2,27,28,29)
InChIKeyZHLQFQWSONKMGT-UHFFFAOYSA-N
XLogP5.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cp-724714
CID 9874913
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
Vuf5574
CID 4046493
Anilinoquinazoline deriv. 33
CID 5329031
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
6-[2-[4-(2-methylquinazolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10341129
(E)-2-methoxy-N-(3-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-6-yl)allyl)acetamide
CID 53401057
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294508
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
N-{4-[(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)oxy]butyl}-2,2,2-trifluoroacetamide
CID 5329488

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea (CID 118709308) is 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
The InChIKey is ZHLQFQWSONKMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-15-2-8-19(9-3-15)27-23(29)28-21-11-20-17(12-25-14-26-20)10-22(21)30-13-16-4-6-18(24)7-5-16/h2-12,14H,13H2,1H3,(H2,27,28,29).
What are the key properties of 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea has a molecular weight of 402.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 118709308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).