7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

C27H24ClN3O4 — CID 121473456

IUPAC7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCNC(=O)Cn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(C3CC3)cc21
InChIInChI=1S/C27H24ClN3O4/c1-30-26(33)13-31-12-22(20-7-5-16(10-23(20)31)15-2-3-15)24(32)14-35-25-11-17-4-6-19(28)8-18(17)9-21(25)27(29)34/h4-12,15H,2-3,13-14H2,1H3,(H2,29,34)(H,30,33)
InChIKeyADJZXIRAMZQCOA-UHFFFAOYSA-N
MW489.96 g/mol
LogP4.43
Rot. Bonds8

About 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121473456) has the molecular formula C27H24ClN3O4 and a molecular weight of 489.96 g/mol. Its IUPAC name is 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121473456
Molecular FormulaC27H24ClN3O4
Molecular Weight489.96 g/mol
Exact Mass489.15
IUPAC Name7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCNC(=O)Cn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(C3CC3)cc21
InChIInChI=1S/C27H24ClN3O4/c1-30-26(33)13-31-12-22(20-7-5-16(10-23(20)31)15-2-3-15)24(32)14-35-25-11-17-4-6-19(28)8-18(17)9-21(25)27(29)34/h4-12,15H,2-3,13-14H2,1H3,(H2,29,34)(H,30,33)
InChIKeyADJZXIRAMZQCOA-UHFFFAOYSA-N
XLogP4.43
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[2-[6-cyclopropyl-1-[(2R)-2-hydroxy-3-(2-hydroxyethylamino)-3-oxopropyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473736
7-chloro-3-[2-[6-cyclopropyl-1-[(3S)-3,4-dihydroxy-3-methylbutyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475070
7-chloro-3-[2-[6-cyclopropyl-1-[(3R)-3,4-dihydroxy-4-methylpentyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473716
7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475015
3-[2-[6-cyclopropyl-1-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indol-3-yl]-2-oxoethoxy]-7-methylnaphthalene-2-carboxamide
CID 145117737
[3-[2-(3-carbamoyl-6-chloronaphthalen-2-yl)oxyacetyl]-6-cyclopropylindol-1-yl]methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 121473579
methyl (2S)-4-[3-[2-(3-carbamoyl-6-chloronaphthalen-2-yl)oxyacetyl]-6-cyclopropylindol-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 121475358
7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473537
2-(6-chloro-3-methylnaphthalen-2-yl)oxy-1-[6-cyclopropyl-1-(3,4-dihydroxybutyl)indol-3-yl]ethanone;ethane
CID 145117730
7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
CID 145117768
7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473606
7-chloro-3-[2-[6-[(1E,3Z)-1,4-diaminobuta-1,3-dienoxy]-1-[2-(3-hydroxyazetidin-1-yl)ethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 145118004

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (CID 121473456) is 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is CNC(=O)Cn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(C3CC3)cc21.
What is the InChIKey of 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is ADJZXIRAMZQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O4/c1-30-26(33)13-31-12-22(20-7-5-16(10-23(20)31)15-2-3-15)24(32)14-35-25-11-17-4-6-19(28)8-18(17)9-21(25)27(29)34/h4-12,15H,2-3,13-14H2,1H3,(H2,29,34)(H,30,33).
What are the key properties of 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).