(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone

C14H16ClN3O — CID 66573462

IUPAC(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
SMILESCNC1CN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1
InChIInChI=1S/C14H16ClN3O/c1-8-3-10(15)4-9-5-12(17-13(8)9)14(19)18-6-11(7-18)16-2/h3-5,11,16-17H,6-7H2,1-2H3
InChIKeyTVGCVLZMFJJQNW-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.17
Rot. Bonds2

About (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone

(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone (PubChem CID 66573462) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
PubChem CID66573462
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
SMILESCNC1CN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1
InChIInChI=1S/C14H16ClN3O/c1-8-3-10(15)4-9-5-12(17-13(8)9)14(19)18-6-11(7-18)16-2/h3-5,11,16-17H,6-7H2,1-2H3
InChIKeyTVGCVLZMFJJQNW-UHFFFAOYSA-N
XLogP2.17
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 70684084
[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 139371705
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
CID 121433323
(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
CID 139371790
(5-chloro-6,7-difluoro-1H-indol-2-yl)-[(3S,4S)-3,4-diaminopyrrolidin-1-yl]methanone
CID 139371670
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535398
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 166251917
[(3S,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone;hydrochloride
CID 171710459
[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 121433329
[(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone
CID 163792117

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
The IUPAC name of (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone (CID 66573462) is (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
The canonical SMILES for (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone is CNC1CN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1.
What is the InChIKey of (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
The InChIKey is TVGCVLZMFJJQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-3-10(15)4-9-5-12(17-13(8)9)14(19)18-6-11(7-18)16-2/h3-5,11,16-17H,6-7H2,1-2H3.
What are the key properties of (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone has a molecular weight of 277.75 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 66573462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).