2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide

C24H23N5O2 — CID 68914894

IUPAC2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide
SMILESCOc1cccc2c1C(Nc1ccc3cc(NC(=O)Cn4ccnc4)ccc3n1)CC2
InChIInChI=1S/C24H23N5O2/c1-31-21-4-2-3-16-5-8-20(24(16)21)28-22-10-6-17-13-18(7-9-19(17)27-22)26-23(30)14-29-12-11-25-15-29/h2-4,6-7,9-13,15,20H,5,8,14H2,1H3,(H,26,30)(H,27,28)
InChIKeyMRBSNUABSNQZPD-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.18
Rot. Bonds6

About 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide

2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide (PubChem CID 68914894) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide
PubChem CID68914894
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide
SMILESCOc1cccc2c1C(Nc1ccc3cc(NC(=O)Cn4ccnc4)ccc3n1)CC2
InChIInChI=1S/C24H23N5O2/c1-31-21-4-2-3-16-5-8-20(24(16)21)28-22-10-6-17-13-18(7-9-19(17)27-22)26-23(30)14-29-12-11-25-15-29/h2-4,6-7,9-13,15,20H,5,8,14H2,1H3,(H,26,30)(H,27,28)
InChIKeyMRBSNUABSNQZPD-UHFFFAOYSA-N
XLogP4.18
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide (CID 68914894) is 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide is COc1cccc2c1C(Nc1ccc3cc(NC(=O)Cn4ccnc4)ccc3n1)CC2.
What is the InChIKey of 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide?
The InChIKey is MRBSNUABSNQZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-21-4-2-3-16-5-8-20(24(16)21)28-22-10-6-17-13-18(7-9-19(17)27-22)26-23(30)14-29-12-11-25-15-29/h2-4,6-7,9-13,15,20H,5,8,14H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide?
2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide is sourced from PubChem (CID 68914894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).