7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine

C25H28N4O2 — CID 25016622

IUPAC7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]c(C)cc4c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C25H28N4O2/c1-16-11-17-12-18(5-6-20(17)27-16)28-21-7-10-26-22-14-24(23(30-4)13-19(21)22)31-15-25(8-9-25)29(2)3/h5-7,10-14,27H,8-9,15H2,1-4H3,(H,26,28)
InChIKeySQNSBKLDCGCFRA-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.25
Rot. Bonds7

About 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine

7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine (PubChem CID 25016622) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine
PubChem CID25016622
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]c(C)cc4c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C25H28N4O2/c1-16-11-17-12-18(5-6-20(17)27-16)28-21-7-10-26-22-14-24(23(30-4)13-19(21)22)31-15-25(8-9-25)29(2)3/h5-7,10-14,27H,8-9,15H2,1-4H3,(H,26,28)
InChIKeySQNSBKLDCGCFRA-UHFFFAOYSA-N
XLogP5.25
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine?
The IUPAC name of 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine (CID 25016622) is 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine.
What is the SMILES notation for 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine?
The canonical SMILES for 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine is COc1cc2c(Nc3ccc4[nH]c(C)cc4c3)ccnc2cc1OCC1(N(C)C)CC1.
What is the InChIKey of 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine?
The InChIKey is SQNSBKLDCGCFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-16-11-17-12-18(5-6-20(17)27-16)28-21-7-10-26-22-14-24(23(30-4)13-19(21)22)31-15-25(8-9-25)29(2)3/h5-7,10-14,27H,8-9,15H2,1-4H3,(H,26,28).
What are the key properties of 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine?
7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine has a molecular weight of 416.53 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine is sourced from PubChem (CID 25016622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).