2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one

C19H20BrClN2O3 — CID 60525757

IUPAC2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(OCCO)cc1Br
InChIInChI=1S/C19H20BrClN2O3/c1-2-7-23-18(14-6-4-13(11-16(14)20)26-9-8-24)22-17-10-12(21)3-5-15(17)19(23)25/h3-6,10-11,18,22,24H,2,7-9H2,1H3
InChIKeyKTWOZEGXBQSIIJ-UHFFFAOYSA-N
MW439.74 g/mol
LogP4.45
Rot. Bonds6

About 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one

2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 60525757) has the molecular formula C19H20BrClN2O3 and a molecular weight of 439.74 g/mol. Its IUPAC name is 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID60525757
Molecular FormulaC19H20BrClN2O3
Molecular Weight439.74 g/mol
Exact Mass438.03
IUPAC Name2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(OCCO)cc1Br
InChIInChI=1S/C19H20BrClN2O3/c1-2-7-23-18(14-6-4-13(11-16(14)20)26-9-8-24)22-17-10-12(21)3-5-15(17)19(23)25/h3-6,10-11,18,22,24H,2,7-9H2,1H3
InChIKeyKTWOZEGXBQSIIJ-UHFFFAOYSA-N
XLogP4.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one (CID 60525757) is 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(OCCO)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is KTWOZEGXBQSIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O3/c1-2-7-23-18(14-6-4-13(11-16(14)20)26-9-8-24)22-17-10-12(21)3-5-15(17)19(23)25/h3-6,10-11,18,22,24H,2,7-9H2,1H3.
What are the key properties of 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one?
2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 439.74 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 60525757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).