(5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine

C17H23N5O2 — CID 58269403

IUPAC(5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
SMILESCc1nc(N)nc2c1/C(=N/OCCN(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/h4-5,7,12H,6,8-10H2,1-3H3,(H2,18,19,20)/b21-14+
InChIKeyMBPUDIZXZHSWKF-KGENOOAVSA-N
MW329.40 g/mol
LogP1.97
Rot. Bonds5

About (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine

(5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine (PubChem CID 58269403) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine.

Molecular Properties

Compound Name(5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
PubChem CID58269403
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
SMILESCc1nc(N)nc2c1/C(=N/OCCN(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/h4-5,7,12H,6,8-10H2,1-3H3,(H2,18,19,20)/b21-14+
InChIKeyMBPUDIZXZHSWKF-KGENOOAVSA-N
XLogP1.97
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-(dimethylamino)propoxyimino]-7-(3-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 87549235
5-[3-(dimethylamino)propoxyimino]-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 76750908
(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine
CID 58269353
(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 25167747
2-[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxyacetic acid
CID 74943084
(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961693
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823
(NZ)-N-[2-amino-7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291152
2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16652999
7-(furan-2-yl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2990960
(7S)-7-(furan-2-yl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601691

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
The IUPAC name of (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine (CID 58269403) is (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine.
What is the SMILES notation for (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
The canonical SMILES for (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine is Cc1nc(N)nc2c1/C(=N/OCCN(C)C)CC(c1ccco1)C2.
What is the InChIKey of (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
The InChIKey is MBPUDIZXZHSWKF-KGENOOAVSA-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/h4-5,7,12H,6,8-10H2,1-3H3,(H2,18,19,20)/b21-14+.
What are the key properties of (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
(5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine has a molecular weight of 329.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[2-(dimethylamino)ethoxyimino]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine is sourced from PubChem (CID 58269403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).