3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide

C23H22N6O — CID 170506948

IUPAC3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2c(C3CC3)cc(-c3ccc(-c4nn[nH]n4)cc3)nc2c1
InChIInChI=1S/C23H22N6O/c1-24-22(30)11-3-14-2-10-18-19(15-4-5-15)13-20(25-21(18)12-14)16-6-8-17(9-7-16)23-26-28-29-27-23/h2,6-10,12-13,15H,3-5,11H2,1H3,(H,24,30)(H,26,27,28,29)
InChIKeyGJNWDUCQOVVDJJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.64
Rot. Bonds6

About 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide

3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide (PubChem CID 170506948) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide
PubChem CID170506948
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2c(C3CC3)cc(-c3ccc(-c4nn[nH]n4)cc3)nc2c1
InChIInChI=1S/C23H22N6O/c1-24-22(30)11-3-14-2-10-18-19(15-4-5-15)13-20(25-21(18)12-14)16-6-8-17(9-7-16)23-26-28-29-27-23/h2,6-10,12-13,15H,3-5,11H2,1H3,(H,24,30)(H,26,27,28,29)
InChIKeyGJNWDUCQOVVDJJ-UHFFFAOYSA-N
XLogP3.64
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide (CID 170506948) is 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide is CNC(=O)CCc1ccc2c(C3CC3)cc(-c3ccc(-c4nn[nH]n4)cc3)nc2c1.
What is the InChIKey of 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide?
The InChIKey is GJNWDUCQOVVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-24-22(30)11-3-14-2-10-18-19(15-4-5-15)13-20(25-21(18)12-14)16-6-8-17(9-7-16)23-26-28-29-27-23/h2,6-10,12-13,15H,3-5,11H2,1H3,(H,24,30)(H,26,27,28,29).
What are the key properties of 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide?
3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide has a molecular weight of 398.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide is sourced from PubChem (CID 170506948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).