N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide

C19H17ClN4O4 — CID 135600108

IUPACN'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H17ClN4O4/c20-13-6-2-4-8-15(13)28-11-18(26)24-23-17(25)10-9-16-21-14-7-3-1-5-12(14)19(27)22-16/h1-8H,9-11H2,(H,23,25)(H,24,26)(H,21,22,27)
InChIKeyKBRMBRKFDZZETF-UHFFFAOYSA-N
MW400.82 g/mol
LogP1.74
Rot. Bonds6

About N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide

N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide (PubChem CID 135600108) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide
PubChem CID135600108
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H17ClN4O4/c20-13-6-2-4-8-15(13)28-11-18(26)24-23-17(25)10-9-16-21-14-7-3-1-5-12(14)19(27)22-16/h1-8H,9-11H2,(H,23,25)(H,24,26)(H,21,22,27)
InChIKeyKBRMBRKFDZZETF-UHFFFAOYSA-N
XLogP1.74
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-2-[(3-chlorophenoxy)methyl]-4(3H)-quinazolinone
CID 589404
2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
CID 660182
N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-2-phenoxyacetamide
CID 742920
2-(4-chlorophenoxy)ethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135424415
2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135512252
N-butyl-2-(2-chloro-4-fluorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135600169
2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one
CID 135690392
N-[4-oxo-2-(phenoxymethyl)quinazolin-3(4H)-yl]-2-[(propan-2-ylideneamino)oxy]acetamide
CID 3884614
2-(3-Chloro-4-methoxyanilino)-2-oxoethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135418842
3-Amino-2-(4-chloro-phenoxymethyl)-3H-quinazolin-4-one
CID 671528
2,2,2-trichloro-N-(4-oxo-2-(phenoxymethyl)quinazolin-3(4H)-yl)acetamide
CID 1386332
N-[2-(4-methylphenyl)-4-oxoquinazolin-3(4H)-yl]-2-phenoxyacetamide
CID 1420474

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide (CID 135600108) is N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide?
The InChIKey is KBRMBRKFDZZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c20-13-6-2-4-8-15(13)28-11-18(26)24-23-17(25)10-9-16-21-14-7-3-1-5-12(14)19(27)22-16/h1-8H,9-11H2,(H,23,25)(H,24,26)(H,21,22,27).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide has a molecular weight of 400.82 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-3-(4-oxo-3H-quinazolin-2-yl)propanehydrazide is sourced from PubChem (CID 135600108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).