N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine

C28H29N3O — CID 25116797

IUPACN-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
SMILESCOc1ccc(CNc2ccc3nc(C)cc(N4CCC(c5ccccc5)C4)c3c2)cc1
InChIInChI=1S/C28H29N3O/c1-20-16-28(31-15-14-23(19-31)22-6-4-3-5-7-22)26-17-24(10-13-27(26)30-20)29-18-21-8-11-25(32-2)12-9-21/h3-13,16-17,23,29H,14-15,18-19H2,1-2H3
InChIKeyCECWSZKFNHHGQM-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.16
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine

N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine (PubChem CID 25116797) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
PubChem CID25116797
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
SMILESCOc1ccc(CNc2ccc3nc(C)cc(N4CCC(c5ccccc5)C4)c3c2)cc1
InChIInChI=1S/C28H29N3O/c1-20-16-28(31-15-14-23(19-31)22-6-4-3-5-7-22)26-17-24(10-13-27(26)30-20)29-18-21-8-11-25(32-2)12-9-21/h3-13,16-17,23,29H,14-15,18-19H2,1-2H3
InChIKeyCECWSZKFNHHGQM-UHFFFAOYSA-N
XLogP6.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile
CID 25116798
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide
CID 25116573
N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
CID 68776069
5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
CID 90900930
4-[1-(2-methyl-6-phenoxyquinolin-4-yl)pyrrolidin-3-yl]aniline
CID 175264996
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482
2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
CID 130220938
[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine
CID 81296527
5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
CID 172840492
4-[[2-methyl-4-(3-pyridin-4-ylpyrrolidin-1-yl)quinolin-7-yl]oxymethyl]benzonitrile
CID 22641484
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine (CID 25116797) is N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine is COc1ccc(CNc2ccc3nc(C)cc(N4CCC(c5ccccc5)C4)c3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine?
The InChIKey is CECWSZKFNHHGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-20-16-28(31-15-14-23(19-31)22-6-4-3-5-7-22)26-17-24(10-13-27(26)30-20)29-18-21-8-11-25(32-2)12-9-21/h3-13,16-17,23,29H,14-15,18-19H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine?
N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine has a molecular weight of 423.56 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine is sourced from PubChem (CID 25116797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).