3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide

C21H14ClN3O2 — CID 86870711

IUPAC3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(Oc2ncnc3cc(Cl)ccc23)c1
InChIInChI=1S/C21H14ClN3O2/c22-15-9-10-18-19(12-15)23-13-24-21(18)27-17-8-4-5-14(11-17)20(26)25-16-6-2-1-3-7-16/h1-13H,(H,25,26)
InChIKeyUTMWYKSBMJQKRB-UHFFFAOYSA-N
MW375.82 g/mol
LogP5.33
Rot. Bonds4

About 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide

3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide (PubChem CID 86870711) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide
PubChem CID86870711
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(Oc2ncnc3cc(Cl)ccc23)c1
InChIInChI=1S/C21H14ClN3O2/c22-15-9-10-18-19(12-15)23-13-24-21(18)27-17-8-4-5-14(11-17)20(26)25-16-6-2-1-3-7-16/h1-13H,(H,25,26)
InChIKeyUTMWYKSBMJQKRB-UHFFFAOYSA-N
XLogP5.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.82
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
CID 24661832
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
ethyl N-(3-quinazolin-4-yloxyphenyl)carbamate
CID 31538412
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
CID 53119921

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide?
The IUPAC name of 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide (CID 86870711) is 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide.
What is the SMILES notation for 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide?
The canonical SMILES for 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(Oc2ncnc3cc(Cl)ccc23)c1.
What is the InChIKey of 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide?
The InChIKey is UTMWYKSBMJQKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-15-9-10-18-19(12-15)23-13-24-21(18)27-17-8-4-5-14(11-17)20(26)25-16-6-2-1-3-7-16/h1-13H,(H,25,26).
What are the key properties of 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide?
3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide has a molecular weight of 375.82 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide is sourced from PubChem (CID 86870711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).