N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine

C22H21N3 — CID 155514473

IUPACN,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C22H21N3/c1-15(16-9-10-21-17(13-16)11-12-25(21)4)19-14-22(24(2)3)23-20-8-6-5-7-18(19)20/h5-14H,1H2,2-4H3
InChIKeySQMUQXNYUMDMQS-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.85
Rot. Bonds3

About N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine

N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine (PubChem CID 155514473) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine
PubChem CID155514473
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC NameN,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C22H21N3/c1-15(16-9-10-21-17(13-16)11-12-25(21)4)19-14-22(24(2)3)23-20-8-6-5-7-18(19)20/h5-14H,1H2,2-4H3
InChIKeySQMUQXNYUMDMQS-UHFFFAOYSA-N
XLogP4.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine?
The IUPAC name of N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine (CID 155514473) is N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine is C=C(c1ccc2c(ccn2C)c1)c1cc(N(C)C)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine?
The InChIKey is SQMUQXNYUMDMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-15(16-9-10-21-17(13-16)11-12-25(21)4)19-14-22(24(2)3)23-20-8-6-5-7-18(19)20/h5-14H,1H2,2-4H3.
What are the key properties of N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine?
N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(1-methylindol-5-yl)ethenyl]quinolin-2-amine is sourced from PubChem (CID 155514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).