N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide

C22H22FN3O2 — CID 58111704

IUPACN-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2F)ccc2cc(CN)cnc12
InChIInChI=1S/C22H22FN3O2/c1-13-20(7-4-16-8-15(10-24)11-25-21(13)16)26-22(27)18-6-5-17(9-19(18)23)28-12-14-2-3-14/h4-9,11,14H,2-3,10,12,24H2,1H3,(H,26,27)
InChIKeyKXCHJPCYEZEKAA-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.18
Rot. Bonds6

About N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide

N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide (PubChem CID 58111704) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide
PubChem CID58111704
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2F)ccc2cc(CN)cnc12
InChIInChI=1S/C22H22FN3O2/c1-13-20(7-4-16-8-15(10-24)11-25-21(13)16)26-22(27)18-6-5-17(9-19(18)23)28-12-14-2-3-14/h4-9,11,14H,2-3,10,12,24H2,1H3,(H,26,27)
InChIKeyKXCHJPCYEZEKAA-UHFFFAOYSA-N
XLogP4.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide
CID 70821778
2-fluoro-N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]-4-(2-methylbutoxy)benzamide
CID 70965895
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902
4-(cyclopropylmethoxy)-N-[3-[[3-(1,1-difluoroethylsulfonyl)propylamino]methyl]-8-methylquinolin-7-yl]benzamide
CID 58111701
N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide
CID 142237216
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(4-methylsulfonylbutylamino)methyl]quinolin-7-yl]benzamide
CID 58111639
N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide
CID 70965995
N-[3-[(cyclopropylmethylamino)methyl]-8-methylquinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083272
N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide
CID 87126681
4-(2-cyclopropylethoxy)-N-[8-methyl-3-[(thian-4-ylamino)methyl]quinolin-7-yl]benzamide
CID 58111661
4-(cyclopropylmethoxy)-N-[8-fluoro-3-[(thian-4-ylamino)methyl]quinolin-7-yl]benzamide
CID 58111660
4-(cyclopropylmethoxy)-N-[8-methyl-3-[1-(3-methylsulfonylpropylamino)ethyl]quinolin-7-yl]benzamide
CID 58111668

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide?
The IUPAC name of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide (CID 58111704) is N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide.
What is the SMILES notation for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide?
The canonical SMILES for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide is Cc1c(NC(=O)c2ccc(OCC3CC3)cc2F)ccc2cc(CN)cnc12.
What is the InChIKey of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide?
The InChIKey is KXCHJPCYEZEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-13-20(7-4-16-8-15(10-24)11-25-21(13)16)26-22(27)18-6-5-17(9-19(18)23)28-12-14-2-3-14/h4-9,11,14H,2-3,10,12,24H2,1H3,(H,26,27).
What are the key properties of N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide?
N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide has a molecular weight of 379.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide is sourced from PubChem (CID 58111704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).