3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride

C19H23ClN4O3 — CID 52995704

IUPAC3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
SMILESCOc1ccc(Nc2nc(NCCCO)c3ccccc3n2)c(OC)c1.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-25-13-8-9-16(17(12-13)26-2)22-19-21-15-7-4-3-6-14(15)18(23-19)20-10-5-11-24;/h3-4,6-9,12,24H,5,10-11H2,1-2H3,(H2,20,21,22,23);1H
InChIKeyHGEGHHFSKHLTBY-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.61
Rot. Bonds8

About 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride

3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride (PubChem CID 52995704) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
PubChem CID52995704
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
SMILESCOc1ccc(Nc2nc(NCCCO)c3ccccc3n2)c(OC)c1.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-25-13-8-9-16(17(12-13)26-2)22-19-21-15-7-4-3-6-14(15)18(23-19)20-10-5-11-24;/h3-4,6-9,12,24H,5,10-11H2,1-2H3,(H2,20,21,22,23);1H
InChIKeyHGEGHHFSKHLTBY-UHFFFAOYSA-N
XLogP3.61
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,4-dimethoxyphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963577
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458
1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 52996217
2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
CID 91964007
3-[[2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol
CID 166636614
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine
CID 10548612
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
CID 91963677
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride?
The IUPAC name of 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride (CID 52995704) is 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride is COc1ccc(Nc2nc(NCCCO)c3ccccc3n2)c(OC)c1.Cl.
What is the InChIKey of 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride?
The InChIKey is HGEGHHFSKHLTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c1-25-13-8-9-16(17(12-13)26-2)22-19-21-15-7-4-3-6-14(15)18(23-19)20-10-5-11-24;/h3-4,6-9,12,24H,5,10-11H2,1-2H3,(H2,20,21,22,23);1H.
What are the key properties of 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride?
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 52995704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).