1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea

C19H14Cl2N4O3 — CID 1314954

IUPAC1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O
InChIInChI=1S/C19H14Cl2N4O3/c20-13-4-3-11(8-14(13)21)23-19(27)25-18-22-9-12-15(24-18)6-10(7-16(12)26)17-2-1-5-28-17/h1-5,8-10H,6-7H2,(H2,22,23,24,25,27)/t10-/m1/s1
InChIKeyMRINKEFPUDHNGE-SNVBAGLBSA-N
MW417.25 g/mol
LogP4.93
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea

1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea (PubChem CID 1314954) has the molecular formula C19H14Cl2N4O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea
PubChem CID1314954
Molecular FormulaC19H14Cl2N4O3
Molecular Weight417.25 g/mol
Exact Mass416.04
IUPAC Name1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O
InChIInChI=1S/C19H14Cl2N4O3/c20-13-4-3-11(8-14(13)21)23-19(27)25-18-22-9-12-15(24-18)6-10(7-16(12)26)17-2-1-5-28-17/h1-5,8-10H,6-7H2,(H2,22,23,24,25,27)/t10-/m1/s1
InChIKeyMRINKEFPUDHNGE-SNVBAGLBSA-N
XLogP4.93
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea (CID 1314954) is 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea?
The InChIKey is MRINKEFPUDHNGE-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3/c20-13-4-3-11(8-14(13)21)23-19(27)25-18-22-9-12-15(24-18)6-10(7-16(12)26)17-2-1-5-28-17/h1-5,8-10H,6-7H2,(H2,22,23,24,25,27)/t10-/m1/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea?
1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea has a molecular weight of 417.25 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea is sourced from PubChem (CID 1314954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).