5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

C23H30Cl2N4O2 — CID 54583219

IUPAC5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N(C)C.Cl
InChIInChI=1S/C23H29ClN4O2.ClH/c1-14-19(25-15(2)21(14)23(30)27(5)6)13-18-17-12-16(24)8-9-20(17)28(22(18)29)11-7-10-26(3)4;/h8-9,12-13,25H,7,10-11H2,1-6H3;1H/b18-13-;
InChIKeyNHOSFQJBRQOHJH-AAKIMCHBSA-N
MW465.43 g/mol
LogP4.25
Rot. Bonds6

About 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 54583219) has the molecular formula C23H30Cl2N4O2 and a molecular weight of 465.43 g/mol. Its IUPAC name is 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID54583219
Molecular FormulaC23H30Cl2N4O2
Molecular Weight465.43 g/mol
Exact Mass464.17
IUPAC Name5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N(C)C.Cl
InChIInChI=1S/C23H29ClN4O2.ClH/c1-14-19(25-15(2)21(14)23(30)27(5)6)13-18-17-12-16(24)8-9-20(17)28(22(18)29)11-7-10-26(3)4;/h8-9,12-13,25H,7,10-11H2,1-6H3;1H/b18-13-;
InChIKeyNHOSFQJBRQOHJH-AAKIMCHBSA-N
XLogP4.25
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 54583219) is 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is Cc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N(C)C.Cl.
What is the InChIKey of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is NHOSFQJBRQOHJH-AAKIMCHBSA-N. The full InChI is InChI=1S/C23H29ClN4O2.ClH/c1-14-19(25-15(2)21(14)23(30)27(5)6)13-18-17-12-16(24)8-9-20(17)28(22(18)29)11-7-10-26(3)4;/h8-9,12-13,25H,7,10-11H2,1-6H3;1H/b18-13-;.
What are the key properties of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 465.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 54583219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).