4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

C24H27N7O — CID 134276602

IUPAC4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2cc(-c3cc(N)nc4ccccc34)nn2)cc1
InChIInChI=1S/C24H27N7O/c1-3-30(4-2)14-13-26-24(32)17-9-11-18(12-10-17)31-16-22(28-29-31)20-15-23(25)27-21-8-6-5-7-19(20)21/h5-12,15-16H,3-4,13-14H2,1-2H3,(H2,25,27)(H,26,32)
InChIKeyOONWZZXNCIHFDH-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.14
Rot. Bonds8

About 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 134276602) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID134276602
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2cc(-c3cc(N)nc4ccccc34)nn2)cc1
InChIInChI=1S/C24H27N7O/c1-3-30(4-2)14-13-26-24(32)17-9-11-18(12-10-17)31-16-22(28-29-31)20-15-23(25)27-21-8-6-5-7-19(20)21/h5-12,15-16H,3-4,13-14H2,1-2H3,(H2,25,27)(H,26,32)
InChIKeyOONWZZXNCIHFDH-UHFFFAOYSA-N
XLogP3.14
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[3-(diethylamino)propyl]-4-[4-(3,4-dihydroxyphenyl)triazol-1-yl]benzamide
CID 142609806
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 130244293
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide
CID 21004036
4-(4-naphthalen-1-yltriazol-1-yl)benzoic acid
CID 66616177
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)ethyl]-4-methyl-3-[2-[2-(methylamino)quinolin-4-yl]ethynyl]benzamide;ethane;propane
CID 142291113
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide (CID 134276602) is 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(-n2cc(-c3cc(N)nc4ccccc34)nn2)cc1.
What is the InChIKey of 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is OONWZZXNCIHFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-30(4-2)14-13-26-24(32)17-9-11-18(12-10-17)31-16-22(28-29-31)20-15-23(25)27-21-8-6-5-7-19(20)21/h5-12,15-16H,3-4,13-14H2,1-2H3,(H2,25,27)(H,26,32).
What are the key properties of 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 429.53 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 134276602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).