N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide

C33H29N3O4 — CID 73036878

IUPACN-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C33H29N3O4/c37-33(36-38)27-12-10-24(11-13-27)18-26(20-34-29-19-28-8-4-5-9-32(28)35-21-29)23-40-31-16-14-30(15-17-31)39-22-25-6-2-1-3-7-25/h1-19,21,34,38H,20,22-23H2,(H,36,37)
InChIKeyGUTMWJGKKWZISS-UHFFFAOYSA-N
MW531.61 g/mol
LogP6.51
Rot. Bonds11

About N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide

N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide (PubChem CID 73036878) has the molecular formula C33H29N3O4 and a molecular weight of 531.61 g/mol. Its IUPAC name is N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
PubChem CID73036878
Molecular FormulaC33H29N3O4
Molecular Weight531.61 g/mol
Exact Mass531.22
IUPAC NameN-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C33H29N3O4/c37-33(36-38)27-12-10-24(11-13-27)18-26(20-34-29-19-28-8-4-5-9-32(28)35-21-29)23-40-31-16-14-30(15-17-31)39-22-25-6-2-1-3-7-25/h1-19,21,34,38H,20,22-23H2,(H,36,37)
InChIKeyGUTMWJGKKWZISS-UHFFFAOYSA-N
XLogP6.51
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.61
LogP ≤ 56.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(7-methoxyquinolin-3-yl)-4-phenylmethoxybenzamide
CID 95745112
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid
CID 10526917
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
5-(phenoxymethyl)-N-quinolin-3-ylfuran-2-carboxamide
CID 31031057
N-hydroxy-4-[(E)-2-[(2-methoxyethylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzamide
CID 87225914
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N-methyl-4-phenylmethoxybenzamide
CID 2996745

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide (CID 73036878) is N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide is O=C(NO)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
The InChIKey is GUTMWJGKKWZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O4/c37-33(36-38)27-12-10-24(11-13-27)18-26(20-34-29-19-28-8-4-5-9-32(28)35-21-29)23-40-31-16-14-30(15-17-31)39-22-25-6-2-1-3-7-25/h1-19,21,34,38H,20,22-23H2,(H,36,37).
What are the key properties of N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide has a molecular weight of 531.61 g/mol, XLogP of 6.51, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide is sourced from PubChem (CID 73036878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).