N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide

C25H31N3O4 — CID 58460371

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)cc1OC
InChIInChI=1S/C25H31N3O4/c1-5-6-12-31-21-11-10-18(14-23(21)30-4)25(29)28-17(3)15-32-22-9-7-8-20-24(22)19(26)13-16(2)27-20/h7-11,13-14,17H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29)
InChIKeyWSWORDNDKYUVFR-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.51
Rot. Bonds10

About N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide (PubChem CID 58460371) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide
PubChem CID58460371
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)cc1OC
InChIInChI=1S/C25H31N3O4/c1-5-6-12-31-21-11-10-18(14-23(21)30-4)25(29)28-17(3)15-32-22-9-7-8-20-24(22)19(26)13-16(2)27-20/h7-11,13-14,17H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29)
InChIKeyWSWORDNDKYUVFR-UHFFFAOYSA-N
XLogP4.51
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cct251236
CID 117996749
CID 117996541
CID 117996541
6-Methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CID 118607432
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide
CID 10320002
N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10387351
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
N-(2-furylmethyl)-N'-[7-(2-methoxyphenoxy)-4-quinolyl]propane-1,3-diamine
CID 56595010
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
6,7-Dimethoxy-4-(o-tolylamino)quinoline-3-carboxamide
CID 44570804
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-1-methoxy-
CID 150543

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide (CID 58460371) is N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide is CCCCOc1ccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)cc1OC.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide?
The InChIKey is WSWORDNDKYUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-6-12-31-21-11-10-18(14-23(21)30-4)25(29)28-17(3)15-32-22-9-7-8-20-24(22)19(26)13-16(2)27-20/h7-11,13-14,17H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide has a molecular weight of 437.54 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-butoxy-3-methoxybenzamide is sourced from PubChem (CID 58460371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).