N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide

C26H27N5O2 — CID 59334180

IUPACN,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide
SMILESCc1cc(N)c2cc(CC(=O)C(C)(C)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
InChIInChI=1S/C26H27N5O2/c1-14-9-20(27)18-11-16(5-7-22(18)29-14)12-24(32)26(3,4)25(33)31-17-6-8-23-19(13-17)21(28)10-15(2)30-23/h5-11,13H,12H2,1-4H3,(H2,27,29)(H2,28,30)(H,31,33)
InChIKeyKTDMFTWEWVZLMJ-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.34
Rot. Bonds5

About N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide

N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide (PubChem CID 59334180) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide.

Molecular Properties

Compound NameN,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide
PubChem CID59334180
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide
SMILESCc1cc(N)c2cc(CC(=O)C(C)(C)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
InChIInChI=1S/C26H27N5O2/c1-14-9-20(27)18-11-16(5-7-22(18)29-14)12-24(32)26(3,4)25(33)31-17-6-8-23-19(13-17)21(28)10-15(2)30-23/h5-11,13H,12H2,1-4H3,(H2,27,29)(H2,28,30)(H,31,33)
InChIKeyKTDMFTWEWVZLMJ-UHFFFAOYSA-N
XLogP4.34
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide?
The IUPAC name of N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide (CID 59334180) is N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide.
What is the SMILES notation for N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide?
The canonical SMILES for N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide is Cc1cc(N)c2cc(CC(=O)C(C)(C)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1.
What is the InChIKey of N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide?
The InChIKey is KTDMFTWEWVZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-14-9-20(27)18-11-16(5-7-22(18)29-14)12-24(32)26(3,4)25(33)31-17-6-8-23-19(13-17)21(28)10-15(2)30-23/h5-11,13H,12H2,1-4H3,(H2,27,29)(H2,28,30)(H,31,33).
What are the key properties of N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide?
N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide has a molecular weight of 441.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide is sourced from PubChem (CID 59334180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).