acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan

C30H36N4O2 — CID 143569348

IUPACacetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan
SMILESC#C.C=C(C)c1ccc(O)c(-c2nc(NCC(N)CC)c3ccccc3n2)c1.CC/C=C1\CC=CO1
InChIInChI=1S/C21H24N4O.C7H10O.C2H2/c1-4-15(22)12-23-20-16-7-5-6-8-18(16)24-21(25-20)17-11-14(13(2)3)9-10-19(17)26;1-2-4-7-5-3-6-8-7;1-2/h5-11,15,26H,2,4,12,22H2,1,3H3,(H,23,24,25);3-4,6H,2,5H2,1H3;1-2H/b;7-4+;
InChIKeyDHOVQKIWDXSFFD-FHVKFMIDSA-N
MW484.64 g/mol
LogP6.65
Rot. Bonds7

About acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan

acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan (PubChem CID 143569348) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan.

Molecular Properties

Compound Nameacetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan
PubChem CID143569348
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC Nameacetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan
SMILESC#C.C=C(C)c1ccc(O)c(-c2nc(NCC(N)CC)c3ccccc3n2)c1.CC/C=C1\CC=CO1
InChIInChI=1S/C21H24N4O.C7H10O.C2H2/c1-4-15(22)12-23-20-16-7-5-6-8-18(16)24-21(25-20)17-11-14(13(2)3)9-10-19(17)26;1-2-4-7-5-3-6-8-7;1-2/h5-11,15,26H,2,4,12,22H2,1,3H3,(H,23,24,25);3-4,6H,2,5H2,1H3;1-2H/b;7-4+;
InChIKeyDHOVQKIWDXSFFD-FHVKFMIDSA-N
XLogP6.65
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
CID 135898999
2-[4-[[(2R)-2-amino-3-methylbutyl]amino]quinazolin-2-yl]-4-(trifluoromethoxy)phenol
CID 135898934
2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol
CID 135898981
4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
CID 142747580
2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol
CID 135874563
2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol
CID 143569347
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
CID 121377251
4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile
CID 142747615
methyl 4-hydroxy-3-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]benzoate
CID 135921394
2-phenyl-N-propylquinazolin-4-amine
CID 10244508

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan?
The IUPAC name of acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan (CID 143569348) is acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan.
What is the SMILES notation for acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan?
The canonical SMILES for acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan is C#C.C=C(C)c1ccc(O)c(-c2nc(NCC(N)CC)c3ccccc3n2)c1.CC/C=C1\CC=CO1.
What is the InChIKey of acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan?
The InChIKey is DHOVQKIWDXSFFD-FHVKFMIDSA-N. The full InChI is InChI=1S/C21H24N4O.C7H10O.C2H2/c1-4-15(22)12-23-20-16-7-5-6-8-18(16)24-21(25-20)17-11-14(13(2)3)9-10-19(17)26;1-2-4-7-5-3-6-8-7;1-2/h5-11,15,26H,2,4,12,22H2,1,3H3,(H,23,24,25);3-4,6H,2,5H2,1H3;1-2H/b;7-4+;.
What are the key properties of acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan?
acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan has a molecular weight of 484.64 g/mol, XLogP of 6.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[4-(2-aminobutylamino)quinazolin-2-yl]-4-prop-1-en-2-ylphenol;(2E)-2-propylidene-3H-furan is sourced from PubChem (CID 143569348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).