1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol

C21H26N4O2 — CID 50959469

IUPAC1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNc2nc(CCN)nc3ccccc23)c(C)c1
InChIInChI=1S/C21H26N4O2/c1-14-7-8-19(15(2)11-14)27-13-16(26)12-23-21-17-5-3-4-6-18(17)24-20(25-21)9-10-22/h3-8,11,16,26H,9-10,12-13,22H2,1-2H3,(H,23,24,25)
InChIKeyVMLBSSXEJLNXGH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.60
Rot. Bonds8

About 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol

1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol (PubChem CID 50959469) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
PubChem CID50959469
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNc2nc(CCN)nc3ccccc23)c(C)c1
InChIInChI=1S/C21H26N4O2/c1-14-7-8-19(15(2)11-14)27-13-16(26)12-23-21-17-5-3-4-6-18(17)24-20(25-21)9-10-22/h3-8,11,16,26H,9-10,12-13,22H2,1-2H3,(H,23,24,25)
InChIKeyVMLBSSXEJLNXGH-UHFFFAOYSA-N
XLogP2.60
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine
CID 50958621
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 56574079
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778480
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride
CID 154887337
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004
1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
CID 167779132
2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium
CID 6984824
2-(2-aminoethyl)-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-amine
CID 95127666
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol (CID 50959469) is 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNc2nc(CCN)nc3ccccc23)c(C)c1.
What is the InChIKey of 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
The InChIKey is VMLBSSXEJLNXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-7-8-19(15(2)11-14)27-13-16(26)12-23-21-17-5-3-4-6-18(17)24-20(25-21)9-10-22/h3-8,11,16,26H,9-10,12-13,22H2,1-2H3,(H,23,24,25).
What are the key properties of 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol has a molecular weight of 366.47 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 50959469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).