N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide

C21H24N4O2 — CID 29368993

IUPACN-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H24N4O2/c1-3-24(4-2)14-13-22-20(26)16-9-11-17(12-10-16)25-15-23-19-8-6-5-7-18(19)21(25)27/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,26)
InChIKeyKXUJYGNANGNUMQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide

N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 29368993) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
PubChem CID29368993
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H24N4O2/c1-3-24(4-2)14-13-22-20(26)16-9-11-17(12-10-16)25-15-23-19-8-6-5-7-18(19)21(25)27/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,26)
InChIKeyKXUJYGNANGNUMQ-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
CID 43020410
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 24515822
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24566961
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide
CID 39039907
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
CID 24553245

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide (CID 29368993) is N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide is CCN(CC)CCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is KXUJYGNANGNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-24(4-2)14-13-22-20(26)16-9-11-17(12-10-16)25-15-23-19-8-6-5-7-18(19)21(25)27/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 29368993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).