6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine

C19H22N4O3S — CID 143782805

IUPAC6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine
SMILESC/C=C/Nc1ncnc2ccc(-c3ccc(CNCCS(C)(=O)=O)o3)cc12
InChIInChI=1S/C19H22N4O3S/c1-3-8-21-19-16-11-14(4-6-17(16)22-13-23-19)18-7-5-15(26-18)12-20-9-10-27(2,24)25/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22,23)/b8-3+
InChIKeyQLYAPAVUDBYBSU-FPYGCLRLSA-N
MW386.48 g/mol
LogP2.97
Rot. Bonds8

About 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine

6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine (PubChem CID 143782805) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine
PubChem CID143782805
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine
SMILESC/C=C/Nc1ncnc2ccc(-c3ccc(CNCCS(C)(=O)=O)o3)cc12
InChIInChI=1S/C19H22N4O3S/c1-3-8-21-19-16-11-14(4-6-17(16)22-13-23-19)18-7-5-15(26-18)12-20-9-10-27(2,24)25/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22,23)/b8-3+
InChIKeyQLYAPAVUDBYBSU-FPYGCLRLSA-N
XLogP2.97
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine with MolForge

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Related Compounds

methane;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-3H-quinazolin-4-one;sulfuric acid
CID 159560470
2-chloro-4-[[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-yl]amino]phenol;bis(4-methylbenzenesulfonic acid)
CID 175673715
N-[4-(3-fluorophenoxy)-3-methoxyphenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CID 69053060
N-(4-isoquinolin-8-yloxy-3-methylphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CID 169222977
acetic acid;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CID 71584952
N-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
CID 162305385
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;bis(1-methyl-4-methylsulfonylbenzene);hydrate
CID 66545304
benzenesulfonic acid;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CID 71300928
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;2-hydroxybenzoic acid
CID 67433728
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[(1,1-dideuterio-2-methylsulfonylethyl)amino]methyl]furan-2-yl]quinazolin-4-amine
CID 52913610
2-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methylamino]-N-methylethanesulfonamide
CID 51348752
N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2-sulfonylethanamine
CID 88932679

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine?
The IUPAC name of 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine (CID 143782805) is 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine.
What is the SMILES notation for 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine?
The canonical SMILES for 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine is C/C=C/Nc1ncnc2ccc(-c3ccc(CNCCS(C)(=O)=O)o3)cc12.
What is the InChIKey of 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine?
The InChIKey is QLYAPAVUDBYBSU-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-8-21-19-16-11-14(4-6-17(16)22-13-23-19)18-7-5-15(26-18)12-20-9-10-27(2,24)25/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22,23)/b8-3+.
What are the key properties of 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine?
6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine has a molecular weight of 386.48 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[(E)-prop-1-enyl]quinazolin-4-amine is sourced from PubChem (CID 143782805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).