(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide

C25H24BrN3O5 — CID 98175383

IUPAC(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C25H24BrN3O5/c1-15(34-18-11-9-17(26)10-12-18)24(30)28-29-23(16-8-13-21(32-2)22(14-16)33-3)27-20-7-5-4-6-19(20)25(29)31/h4-15,23,27H,1-3H3,(H,28,30)/t15-,23+/m1/s1
InChIKeyRHCIHPIJDUBGGI-CMJOXMDJSA-N
MW526.39 g/mol
LogP4.53
Rot. Bonds7

About (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide

(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide (PubChem CID 98175383) has the molecular formula C25H24BrN3O5 and a molecular weight of 526.39 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
PubChem CID98175383
Molecular FormulaC25H24BrN3O5
Molecular Weight526.39 g/mol
Exact Mass525.09
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C25H24BrN3O5/c1-15(34-18-11-9-17(26)10-12-18)24(30)28-29-23(16-8-13-21(32-2)22(14-16)33-3)27-20-7-5-4-6-19(20)25(29)31/h4-15,23,27H,1-3H3,(H,28,30)/t15-,23+/m1/s1
InChIKeyRHCIHPIJDUBGGI-CMJOXMDJSA-N
XLogP4.53
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18887257
2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18887275
4-bromo-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18887263
3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 71741088
N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide
CID 18887021
N-(6-bromo-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-naphthalen-1-yloxypropanamide
CID 18887447
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
(2S)-3-[(2S)-butan-2-yl]-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008031
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
CID 18887265
2-(4-bromophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 42936291
N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide
CID 18887382
N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide
CID 18887505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide (CID 98175383) is (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide is COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
The InChIKey is RHCIHPIJDUBGGI-CMJOXMDJSA-N. The full InChI is InChI=1S/C25H24BrN3O5/c1-15(34-18-11-9-17(26)10-12-18)24(30)28-29-23(16-8-13-21(32-2)22(14-16)33-3)27-20-7-5-4-6-19(20)25(29)31/h4-15,23,27H,1-3H3,(H,28,30)/t15-,23+/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide has a molecular weight of 526.39 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide is sourced from PubChem (CID 98175383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).