N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

C28H35N3O4 — CID 58083323

IUPACN-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCOC(C)(C)CNCc1cnc2c(C)c(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc2c1
InChIInChI=1S/C28H35N3O4/c1-19-25(12-9-22-14-20(16-30-26(19)22)15-29-18-28(2,3)33-4)31-27(32)21-7-10-23(11-8-21)35-17-24-6-5-13-34-24/h7-12,14,16,24,29H,5-6,13,15,17-18H2,1-4H3,(H,31,32)/t24-/m1/s1
InChIKeyISUULXGQNZAENJ-XMMPIXPASA-N
MW477.61 g/mol
LogP4.87
Rot. Bonds10

About N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 58083323) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID58083323
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC NameN-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCOC(C)(C)CNCc1cnc2c(C)c(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc2c1
InChIInChI=1S/C28H35N3O4/c1-19-25(12-9-22-14-20(16-30-26(19)22)15-29-18-28(2,3)33-4)31-27(32)21-7-10-23(11-8-21)35-17-24-6-5-13-34-24/h7-12,14,16,24,29H,5-6,13,15,17-18H2,1-4H3,(H,31,32)/t24-/m1/s1
InChIKeyISUULXGQNZAENJ-XMMPIXPASA-N
XLogP4.87
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide with MolForge

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Related Compounds

N-[3-[(2,2-dimethylpropylamino)methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 58083319
N-[3-[(cyclopropylmethylamino)methyl]-8-methylquinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083272
N-[3-[(cyclopropylmethylamino)methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 58083298
N-[8-methyl-3-[(2-methylpropylamino)methyl]quinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083280
N-[8-methyl-3-[[(3-methyloxetan-3-yl)methylamino]methyl]quinolin-7-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 66726868
N-[3-[(butan-2-ylamino)methyl]-8-methylquinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083283
4-(cyclopropylmethoxy)-N-[3-[[3-(1,1-difluoroethylsulfonyl)propylamino]methyl]-8-methylquinolin-7-yl]benzamide
CID 58111701
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(4-methylsulfonylbutylamino)methyl]quinolin-7-yl]benzamide
CID 58111639
4-(2-cyclopropylethoxy)-N-[8-methyl-3-[(3-methylsulfanylpropylamino)methyl]quinolin-7-yl]benzamide
CID 58111630
4-(2-cyclopropylethoxy)-N-[8-methyl-3-[(thian-4-ylamino)methyl]quinolin-7-yl]benzamide
CID 58111661
N-[2-[(2,2-dimethylpropylamino)methyl]-3,7-dimethyl-1H-indol-6-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 70968050
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 58083323) is N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is COC(C)(C)CNCc1cnc2c(C)c(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc2c1.
What is the InChIKey of N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is ISUULXGQNZAENJ-XMMPIXPASA-N. The full InChI is InChI=1S/C28H35N3O4/c1-19-25(12-9-22-14-20(16-30-26(19)22)15-29-18-28(2,3)33-4)31-27(32)21-7-10-23(11-8-21)35-17-24-6-5-13-34-24/h7-12,14,16,24,29H,5-6,13,15,17-18H2,1-4H3,(H,31,32)/t24-/m1/s1.
What are the key properties of N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 477.61 g/mol, XLogP of 4.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 58083323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).