5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine

C17H23N5O2 — CID 91424791

IUPAC5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine
SMILESCc1nc(N)nc2c1C(NOCCN(C)C)=CC(c1ccco1)C2
InChIInChI=1S/C17H23N5O2/c1-11-16-13(20-17(18)19-11)9-12(15-5-4-7-23-15)10-14(16)21-24-8-6-22(2)3/h4-5,7,10,12,21H,6,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyJQBSYHDNBDFEFX-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.72
Rot. Bonds6

About 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine

5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine (PubChem CID 91424791) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine
PubChem CID91424791
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine
SMILESCc1nc(N)nc2c1C(NOCCN(C)C)=CC(c1ccco1)C2
InChIInChI=1S/C17H23N5O2/c1-11-16-13(20-17(18)19-11)9-12(15-5-4-7-23-15)10-14(16)21-24-8-6-22(2)3/h4-5,7,10,12,21H,6,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyJQBSYHDNBDFEFX-UHFFFAOYSA-N
XLogP1.72
TPSA89.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine (CID 91424791) is 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine is Cc1nc(N)nc2c1C(NOCCN(C)C)=CC(c1ccco1)C2.
What is the InChIKey of 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
The InChIKey is JQBSYHDNBDFEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-16-13(20-17(18)19-11)9-12(15-5-4-7-23-15)10-14(16)21-24-8-6-22(2)3/h4-5,7,10,12,21H,6,8-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine has a molecular weight of 329.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine is sourced from PubChem (CID 91424791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).