3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol

C21H24N6O — CID 176907723

IUPAC3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol
SMILESCc1c2ccc(N(C)c3nc(NCCCO)nc4ccccc34)cc2nn1C
InChIInChI=1S/C21H24N6O/c1-14-16-10-9-15(13-19(16)25-27(14)3)26(2)20-17-7-4-5-8-18(17)23-21(24-20)22-11-6-12-28/h4-5,7-10,13,28H,6,11-12H2,1-3H3,(H,22,23,24)
InChIKeyIFWBQXYHIDZNPV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.39
Rot. Bonds6

About 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol

3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol (PubChem CID 176907723) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol
PubChem CID176907723
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol
SMILESCc1c2ccc(N(C)c3nc(NCCCO)nc4ccccc34)cc2nn1C
InChIInChI=1S/C21H24N6O/c1-14-16-10-9-15(13-19(16)25-27(14)3)26(2)20-17-7-4-5-8-18(17)23-21(24-20)22-11-6-12-28/h4-5,7-10,13,28H,6,11-12H2,1-3H3,(H,22,23,24)
InChIKeyIFWBQXYHIDZNPV-UHFFFAOYSA-N
XLogP3.39
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 176907701
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80798383
2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
CID 59242122
methyl N-[2-[[4-(3,4-dimethoxy-N-methylanilino)quinazolin-2-yl]amino]ethyl]carbamate
CID 59237301
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
CID 50947927
N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
CID 59648370
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide
CID 10296889
2,3-dimethylindazole;ethane
CID 142199070
6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one
CID 71012679
1-tert-butyl-N-[(2S)-6-[[4-(dimethylamino)quinazolin-2-yl]amino]-2-methylhexyl]-5-methylpyrazole-3-carboxamide
CID 142229984
4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde
CID 143778192

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol (CID 176907723) is 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol is Cc1c2ccc(N(C)c3nc(NCCCO)nc4ccccc34)cc2nn1C.
What is the InChIKey of 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol?
The InChIKey is IFWBQXYHIDZNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-16-10-9-15(13-19(16)25-27(14)3)26(2)20-17-7-4-5-8-18(17)23-21(24-20)22-11-6-12-28/h4-5,7-10,13,28H,6,11-12H2,1-3H3,(H,22,23,24).
What are the key properties of 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol?
3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol has a molecular weight of 376.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 176907723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).