N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

C25H29N5O — CID 74953644

IUPACN-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cccc3nc(NC4CCc5ccccc54)ccc23)CC1
InChIInChI=1S/C25H29N5O/c1-29-13-15-30(16-14-29)17-25(31)28-22-8-4-7-21-20(22)10-12-24(26-21)27-23-11-9-18-5-2-3-6-19(18)23/h2-8,10,12,23H,9,11,13-17H2,1H3,(H,26,27)(H,28,31)
InChIKeyNEPXNURYYHAGBV-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 74953644) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID74953644
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cccc3nc(NC4CCc5ccccc54)ccc23)CC1
InChIInChI=1S/C25H29N5O/c1-29-13-15-30(16-14-29)17-25(31)28-22-8-4-7-21-20(22)10-12-24(26-21)27-23-11-9-18-5-2-3-6-19(18)23/h2-8,10,12,23H,9,11,13-17H2,1H3,(H,26,27)(H,28,31)
InChIKeyNEPXNURYYHAGBV-UHFFFAOYSA-N
XLogP3.52
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74953808
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine
CID 25016501
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
CID 67096011
5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 25016238
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
CID 74953904
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-(4-methylpiperazin-1-yl)-N-[4-[[2-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]quinazolin-4-yl]amino]phenyl]acetamide
CID 134132979
2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine
CID 86620841
3-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-methylurea
CID 74954519
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea
CID 74953845
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 3619977

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 74953644) is N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cccc3nc(NC4CCc5ccccc54)ccc23)CC1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is NEPXNURYYHAGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-29-13-15-30(16-14-29)17-25(31)28-22-8-4-7-21-20(22)10-12-24(26-21)27-23-11-9-18-5-2-3-6-19(18)23/h2-8,10,12,23H,9,11,13-17H2,1H3,(H,26,27)(H,28,31).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 74953644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).