4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide

C22H21N7O3 — CID 154841493

IUPAC4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide
SMILESO=C(NNc1cnc2ccccc2n1)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C22H21N7O3/c30-21-14-5-1-2-6-15(14)24-20(26-21)13-29-9-10-32-18(12-29)22(31)28-27-19-11-23-16-7-3-4-8-17(16)25-19/h1-8,11,18H,9-10,12-13H2,(H,25,27)(H,28,31)(H,24,26,30)
InChIKeyVTNZQKQLHCXYIP-UHFFFAOYSA-N
MW431.46 g/mol
LogP1.21
Rot. Bonds5

About 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide

4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide (PubChem CID 154841493) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide
PubChem CID154841493
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide
SMILESO=C(NNc1cnc2ccccc2n1)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C22H21N7O3/c30-21-14-5-1-2-6-15(14)24-20(26-21)13-29-9-10-32-18(12-29)22(31)28-27-19-11-23-16-7-3-4-8-17(16)25-19/h1-8,11,18H,9-10,12-13H2,(H,25,27)(H,28,31)(H,24,26,30)
InChIKeyVTNZQKQLHCXYIP-UHFFFAOYSA-N
XLogP1.21
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-piperidin-3-ylmorpholine-2-carboxamide
CID 137140921
2-[[2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137229611
N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137147916
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137077527
N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137159327
2-[[(2S)-2-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137097315
2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137127767
2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137174071
2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 154837326
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide
CID 139005887
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136853798

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide?
The IUPAC name of 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide (CID 154841493) is 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide.
What is the SMILES notation for 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide?
The canonical SMILES for 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide is O=C(NNc1cnc2ccccc2n1)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.
What is the InChIKey of 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide?
The InChIKey is VTNZQKQLHCXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c30-21-14-5-1-2-6-15(14)24-20(26-21)13-29-9-10-32-18(12-29)22(31)28-27-19-11-23-16-7-3-4-8-17(16)25-19/h1-8,11,18H,9-10,12-13H2,(H,25,27)(H,28,31)(H,24,26,30).
What are the key properties of 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide?
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide has a molecular weight of 431.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide is sourced from PubChem (CID 154841493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).