N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide

C25H26N4O — CID 154340588

IUPACN-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide
SMILESCCCC(C)(N)c1ccc2cc(-c3cc(NC(C)=O)nc4ccccc34)ccc2n1
InChIInChI=1S/C25H26N4O/c1-4-13-25(3,26)23-12-10-18-14-17(9-11-21(18)28-23)20-15-24(27-16(2)30)29-22-8-6-5-7-19(20)22/h5-12,14-15H,4,13,26H2,1-3H3,(H,27,29,30)
InChIKeyIOEBOMIUNNUBFZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.38
Rot. Bonds5

About N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide

N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide (PubChem CID 154340588) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide
PubChem CID154340588
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide
SMILESCCCC(C)(N)c1ccc2cc(-c3cc(NC(C)=O)nc4ccccc34)ccc2n1
InChIInChI=1S/C25H26N4O/c1-4-13-25(3,26)23-12-10-18-14-17(9-11-21(18)28-23)20-15-24(27-16(2)30)29-22-8-6-5-7-19(20)22/h5-12,14-15H,4,13,26H2,1-3H3,(H,27,29,30)
InChIKeyIOEBOMIUNNUBFZ-UHFFFAOYSA-N
XLogP5.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid
CID 175802370
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665
2-(4-phenylquinolin-2-yl)propane-2-thiol
CID 156541740
N-(2-naphthalen-2-ylnaphthalen-1-yl)acetamide
CID 101477618
ethyl (2S)-2-amino-2-(6-heptoxyquinolin-2-yl)propanoate
CID 129387517
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382
2-amino-2-methyl-N-quinolin-3-ylpentanamide
CID 60846674
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
4-phenyl-2-propylquinoline
CID 145370518
tert-butyl N-(4-acetylquinolin-2-yl)carbamate
CID 118689136
2-(ethylamino)-N-(1H-imidazol-2-yl)quinoline-4-carboxamide
CID 63563758

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide?
The IUPAC name of N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide (CID 154340588) is N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide?
The canonical SMILES for N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide is CCCC(C)(N)c1ccc2cc(-c3cc(NC(C)=O)nc4ccccc34)ccc2n1.
What is the InChIKey of N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide?
The InChIKey is IOEBOMIUNNUBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-4-13-25(3,26)23-12-10-18-14-17(9-11-21(18)28-23)20-15-24(27-16(2)30)29-22-8-6-5-7-19(20)22/h5-12,14-15H,4,13,26H2,1-3H3,(H,27,29,30).
What are the key properties of N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide?
N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide is sourced from PubChem (CID 154340588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).