9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one

C22H21N3O2S — CID 171549748

IUPAC9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
SMILESCOc1nc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C22H21N3O2S/c1-12-18-17(15-7-10-28-19(15)20(26)25-18)16(21(24-12)27-2)13-3-5-14(6-4-13)22(11-23)8-9-22/h3-7,10H,8-9,11,23H2,1-2H3,(H,25,26)
InChIKeyJKYSOMWIXSECIK-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.11
Rot. Bonds4

About 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one

9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one (PubChem CID 171549748) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one.

Molecular Properties

Compound Name9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
PubChem CID171549748
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
SMILESCOc1nc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C22H21N3O2S/c1-12-18-17(15-7-10-28-19(15)20(26)25-18)16(21(24-12)27-2)13-3-5-14(6-4-13)22(11-23)8-9-22/h3-7,10H,8-9,11,23H2,1-2H3,(H,25,26)
InChIKeyJKYSOMWIXSECIK-UHFFFAOYSA-N
XLogP4.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(1-aminopropan-2-yl)phenyl]-6-chloro-8-methoxy-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549969
9-[4-[(2R)-1-amino-3-fluoropropan-2-yl]phenyl]-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549904
9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 118194110
tert-butyl N-[[1-[4-(6-bromo-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]methyl]carbamate
CID 86689527
9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549551
9-[4-[3-(aminomethyl)pentan-3-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67449680
[1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid
CID 67450002
9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67447177
9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67448808
6-(hydroxymethyl)-8-methyl-9-[4-[1-(methylamino)propan-2-yl]phenyl]-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549580
6-bromo-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 71244988
9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163858078

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
The IUPAC name of 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one (CID 171549748) is 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one.
What is the SMILES notation for 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
The canonical SMILES for 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one is COc1nc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CN)CC2)cc1.
What is the InChIKey of 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
The InChIKey is JKYSOMWIXSECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-12-18-17(15-7-10-28-19(15)20(26)25-18)16(21(24-12)27-2)13-3-5-14(6-4-13)22(11-23)8-9-22/h3-7,10H,8-9,11,23H2,1-2H3,(H,25,26).
What are the key properties of 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one has a molecular weight of 391.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(aminomethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one is sourced from PubChem (CID 171549748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).