2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide

C25H25N7O — CID 143303445

IUPAC2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccccc1-c1nc(Nc2ccc3c(c2)CN(C)N3)c2ccccc2n1
InChIInChI=1S/C25H25N7O/c1-26-14-23(33)28-21-9-5-3-7-18(21)25-29-22-10-6-4-8-19(22)24(30-25)27-17-11-12-20-16(13-17)15-32(2)31-20/h3-13,26,31H,14-15H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyZKNXLNSGEKVNSX-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.97
Rot. Bonds6

About 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide

2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide (PubChem CID 143303445) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide
PubChem CID143303445
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccccc1-c1nc(Nc2ccc3c(c2)CN(C)N3)c2ccccc2n1
InChIInChI=1S/C25H25N7O/c1-26-14-23(33)28-21-9-5-3-7-18(21)25-29-22-10-6-4-8-19(22)24(30-25)27-17-11-12-20-16(13-17)15-32(2)31-20/h3-13,26,31H,14-15H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyZKNXLNSGEKVNSX-UHFFFAOYSA-N
XLogP3.97
TPSA94.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide with MolForge

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Related Compounds

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
N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 59361987
N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide
CID 59361854
N-[3-[4-(4-amino-3-methanimidoylanilino)quinazolin-2-yl]cyclohepta-1,3,6-trien-1-yl]-2-(methylamino)acetamide
CID 91501392
N-benzyl-2-[2-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide;methane
CID 161345385
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 11950701
2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
CID 132500565
2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 4301486
2-[3-[4-[(2,4-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)amino]quinazolin-2-yl]phenoxy]acetamide
CID 123659972
N-[2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 10110761
2-(dimethylamino)-N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 59361917
N-[5-chloro-2-[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]phenyl]-4-(4-methylpiperazin-1-yl)butanamide
CID 56970358

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide (CID 143303445) is 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide is CNCC(=O)Nc1ccccc1-c1nc(Nc2ccc3c(c2)CN(C)N3)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide?
The InChIKey is ZKNXLNSGEKVNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-26-14-23(33)28-21-9-5-3-7-18(21)25-29-22-10-6-4-8-19(22)24(30-25)27-17-11-12-20-16(13-17)15-32(2)31-20/h3-13,26,31H,14-15H2,1-2H3,(H,28,33)(H,27,29,30).
What are the key properties of 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide?
2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-[4-[(2-methyl-1,3-dihydroindazol-5-yl)amino]quinazolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 143303445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).