(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

C19H19BrN2O3 — CID 30098070

IUPAC(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCCO)cc1Br
InChIInChI=1S/C19H19BrN2O3/c1-2-9-22-18(21-17-6-4-3-5-15(17)19(22)24)14-8-7-13(12-16(14)20)25-11-10-23/h2-8,12,18,21,23H,1,9-11H2/t18-/m1/s1
InChIKeyDLNQMQOBNFGRHI-GOSISDBHSA-N
MW403.28 g/mol
LogP3.57
Rot. Bonds6

About (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (PubChem CID 30098070) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
PubChem CID30098070
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCCO)cc1Br
InChIInChI=1S/C19H19BrN2O3/c1-2-9-22-18(21-17-6-4-3-5-15(17)19(22)24)14-8-7-13(12-16(14)20)25-11-10-23/h2-8,12,18,21,23H,1,9-11H2/t18-/m1/s1
InChIKeyDLNQMQOBNFGRHI-GOSISDBHSA-N
XLogP3.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one
CID 60525757
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54779538
2-[4-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54780086
2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 26638727
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 42915048
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 92787600
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
(2R)-2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 41038319
(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 41173305
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
2-chloro-7-methoxy-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 56971736
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (CID 30098070) is (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCCO)cc1Br.
What is the InChIKey of (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The InChIKey is DLNQMQOBNFGRHI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-2-9-22-18(21-17-6-4-3-5-15(17)19(22)24)14-8-7-13(12-16(14)20)25-11-10-23/h2-8,12,18,21,23H,1,9-11H2/t18-/m1/s1.
What are the key properties of (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one has a molecular weight of 403.28 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 30098070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).