N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine

C23H26ClN7 — CID 71770408

IUPACN-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine
SMILESCN(C)C(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)c1nnnn1C(C)(C)C
InChIInChI=1S/C23H26ClN7/c1-23(2,3)31-22(27-28-29-31)21(30(4)5)15-6-9-17(10-7-15)26-19-12-13-25-20-14-16(24)8-11-18(19)20/h6-14,21H,1-5H3,(H,25,26)
InChIKeyYPZQGMLTJMIYDL-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.02
Rot. Bonds5

About N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine

N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine (PubChem CID 71770408) has the molecular formula C23H26ClN7 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine
PubChem CID71770408
Molecular FormulaC23H26ClN7
Molecular Weight435.96 g/mol
Exact Mass435.19
IUPAC NameN-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine
SMILESCN(C)C(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)c1nnnn1C(C)(C)C
InChIInChI=1S/C23H26ClN7/c1-23(2,3)31-22(27-28-29-31)21(30(4)5)15-6-9-17(10-7-15)26-19-12-13-25-20-14-16(24)8-11-18(19)20/h6-14,21H,1-5H3,(H,25,26)
InChIKeyYPZQGMLTJMIYDL-UHFFFAOYSA-N
XLogP5.02
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine (CID 71770408) is N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine is CN(C)C(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)c1nnnn1C(C)(C)C.
What is the InChIKey of N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine?
The InChIKey is YPZQGMLTJMIYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7/c1-23(2,3)31-22(27-28-29-31)21(30(4)5)15-6-9-17(10-7-15)26-19-12-13-25-20-14-16(24)8-11-18(19)20/h6-14,21H,1-5H3,(H,25,26).
What are the key properties of N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine?
N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine has a molecular weight of 435.96 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-tert-butyltetrazol-5-yl)-(dimethylamino)methyl]phenyl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 71770408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).