3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine

C22H21Cl2N3 — CID 10287493

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine
SMILESCc1cc(C)c2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)c1CC2
InChIInChI=1S/C22H21Cl2N3/c1-11-7-12(2)14-5-6-16-20(15-4-3-13(23)9-19(15)24)18(10-25)22(26)27-21(16)17(14)8-11/h3-4,7-9H,5-6,10,25H2,1-2H3,(H2,26,27)
InChIKeySIAICKIQDRFESI-UHFFFAOYSA-N
MW398.34 g/mol
LogP5.48
Rot. Bonds2

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine

3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine (PubChem CID 10287493) has the molecular formula C22H21Cl2N3 and a molecular weight of 398.34 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine
PubChem CID10287493
Molecular FormulaC22H21Cl2N3
Molecular Weight398.34 g/mol
Exact Mass397.11
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine
SMILESCc1cc(C)c2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)c1CC2
InChIInChI=1S/C22H21Cl2N3/c1-11-7-12(2)14-5-6-16-20(15-4-3-13(23)9-19(15)24)18(10-25)22(26)27-21(16)17(14)8-11/h3-4,7-9H,5-6,10,25H2,1-2H3,(H2,26,27)
InChIKeySIAICKIQDRFESI-UHFFFAOYSA-N
XLogP5.48
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine (CID 10287493) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine is Cc1cc(C)c2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)c1CC2.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine?
The InChIKey is SIAICKIQDRFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3/c1-11-7-12(2)14-5-6-16-20(15-4-3-13(23)9-19(15)24)18(10-25)22(26)27-21(16)17(14)8-11/h3-4,7-9H,5-6,10,25H2,1-2H3,(H2,26,27).
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine?
3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine has a molecular weight of 398.34 g/mol, XLogP of 5.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine is sourced from PubChem (CID 10287493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).