N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide

C30H35N5O4S — CID 146212420

IUPACN-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide
SMILESCN1C(=O)C2(CC2)c2c1cnc1ccc(-c3cnc(OCCC4CCCCN4C)c(NS(=O)(=O)C4CC4)c3)cc21
InChIInChI=1S/C30H35N5O4S/c1-34-13-4-3-5-21(34)10-14-39-28-25(33-40(37,38)22-7-8-22)16-20(17-32-28)19-6-9-24-23(15-19)27-26(18-31-24)35(2)29(36)30(27)11-12-30/h6,9,15-18,21-22,33H,3-5,7-8,10-14H2,1-2H3
InChIKeyREEQGSMUFNXLEY-UHFFFAOYSA-N
MW561.71 g/mol
LogP4.46
Rot. Bonds8

About N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide

N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 146212420) has the molecular formula C30H35N5O4S and a molecular weight of 561.71 g/mol. Its IUPAC name is N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide
PubChem CID146212420
Molecular FormulaC30H35N5O4S
Molecular Weight561.71 g/mol
Exact Mass561.24
IUPAC NameN-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide
SMILESCN1C(=O)C2(CC2)c2c1cnc1ccc(-c3cnc(OCCC4CCCCN4C)c(NS(=O)(=O)C4CC4)c3)cc21
InChIInChI=1S/C30H35N5O4S/c1-34-13-4-3-5-21(34)10-14-39-28-25(33-40(37,38)22-7-8-22)16-20(17-32-28)19-6-9-24-23(15-19)27-26(18-31-24)35(2)29(36)30(27)11-12-30/h6,9,15-18,21-22,33H,3-5,7-8,10-14H2,1-2H3
InChIKeyREEQGSMUFNXLEY-UHFFFAOYSA-N
XLogP4.46
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.71
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide (CID 146212420) is N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide is CN1C(=O)C2(CC2)c2c1cnc1ccc(-c3cnc(OCCC4CCCCN4C)c(NS(=O)(=O)C4CC4)c3)cc21.
What is the InChIKey of N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is REEQGSMUFNXLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4S/c1-34-13-4-3-5-21(34)10-14-39-28-25(33-40(37,38)22-7-8-22)16-20(17-32-28)19-6-9-24-23(15-19)27-26(18-31-24)35(2)29(36)30(27)11-12-30/h6,9,15-18,21-22,33H,3-5,7-8,10-14H2,1-2H3.
What are the key properties of N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 561.71 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(1-methylpiperidin-2-yl)ethoxy]-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 146212420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).