N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide

C24H26N6O — CID 90446555

IUPACN-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(C#N)cc13)C2
InChIInChI=1S/C24H26N6O/c1-3-30(4-2)14-23(31)28-19-7-6-17-10-20(12-18(17)11-19)29-24-21-9-16(13-25)5-8-22(21)26-15-27-24/h5-9,11,15,20H,3-4,10,12,14H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKeyNCOOEMIFIYBTEU-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.36
Rot. Bonds7

About N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide

N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide (PubChem CID 90446555) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide
PubChem CID90446555
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(C#N)cc13)C2
InChIInChI=1S/C24H26N6O/c1-3-30(4-2)14-23(31)28-19-7-6-17-10-20(12-18(17)11-19)29-24-21-9-16(13-25)5-8-22(21)26-15-27-24/h5-9,11,15,20H,3-4,10,12,14H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKeyNCOOEMIFIYBTEU-UHFFFAOYSA-N
XLogP3.36
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide with MolForge

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Related Compounds

N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 90446066
N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
CID 141333726
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide
CID 90446717
4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile
CID 121262387
N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide
CID 141404276
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274785
6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 144711397
4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121261640
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
4-(2-methylpropylamino)quinazoline-6-carbonitrile
CID 56942486
N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 56942640

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide?
The IUPAC name of N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide (CID 90446555) is N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(C#N)cc13)C2.
What is the InChIKey of N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide?
The InChIKey is NCOOEMIFIYBTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-3-30(4-2)14-23(31)28-19-7-6-17-10-20(12-18(17)11-19)29-24-21-9-16(13-25)5-8-22(21)26-15-27-24/h5-9,11,15,20H,3-4,10,12,14H2,1-2H3,(H,28,31)(H,26,27,29).
What are the key properties of N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide?
N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide is sourced from PubChem (CID 90446555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).