N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine

C17H23N3O — CID 81424472

IUPACN-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine
SMILESCCCNCC1CCc2nc(-c3ccco3)nc(C)c2C1
InChIInChI=1S/C17H23N3O/c1-3-8-18-11-13-6-7-15-14(10-13)12(2)19-17(20-15)16-5-4-9-21-16/h4-5,9,13,18H,3,6-8,10-11H2,1-2H3
InChIKeyRDQFOLBIJPDJOC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds5

About N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine

N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine (PubChem CID 81424472) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine
PubChem CID81424472
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine
SMILESCCCNCC1CCc2nc(-c3ccco3)nc(C)c2C1
InChIInChI=1S/C17H23N3O/c1-3-8-18-11-13-6-7-15-14(10-13)12(2)19-17(20-15)16-5-4-9-21-16/h4-5,9,13,18H,3,6-8,10-11H2,1-2H3
InChIKeyRDQFOLBIJPDJOC-UHFFFAOYSA-N
XLogP3.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine (CID 81424472) is N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine is CCCNCC1CCc2nc(-c3ccco3)nc(C)c2C1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine?
The InChIKey is RDQFOLBIJPDJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-18-11-13-6-7-15-14(10-13)12(2)19-17(20-15)16-5-4-9-21-16/h4-5,9,13,18H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine?
N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 81424472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).