N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide

C23H24BrN5O2 — CID 59382779

IUPACN-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide
SMILESCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C1CCNCC1
InChIInChI=1S/C23H24BrN5O2/c1-2-31-21-13-19-18(12-20(21)29-22(30)10-15-6-8-25-9-7-15)23(27-14-26-19)28-17-5-3-4-16(24)11-17/h3-5,10-14,25H,2,6-9H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyCDDXSOAZKNNQLH-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.78
Rot. Bonds6

About N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide

N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide (PubChem CID 59382779) has the molecular formula C23H24BrN5O2 and a molecular weight of 482.38 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide
PubChem CID59382779
Molecular FormulaC23H24BrN5O2
Molecular Weight482.38 g/mol
Exact Mass481.11
IUPAC NameN-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide
SMILESCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C1CCNCC1
InChIInChI=1S/C23H24BrN5O2/c1-2-31-21-13-19-18(12-20(21)29-22(30)10-15-6-8-25-9-7-15)23(27-14-26-19)28-17-5-3-4-16(24)11-17/h3-5,10-14,25H,2,6-9H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyCDDXSOAZKNNQLH-UHFFFAOYSA-N
XLogP4.78
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-(1-ethylpiperidin-4-ylidene)acetamide
CID 59382736
N-[7-ethoxy-4-(3-prop-1-en-2-ylanilino)quinazolin-6-yl]-2-(1-methylpiperidin-4-ylidene)acetamide
CID 144858484
N-[4-(3-bromoanilino)-7-(2-ethoxyethoxy)quinazolin-6-yl]prop-2-enamide
CID 69320575
N-[4-(3-bromoanilino)-7-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]quinazolin-6-yl]prop-2-enamide
CID 69314895
ethyl 4-[4-(3-bromoanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxybutanoate
CID 150328696
(Z)-N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-fluoro-4-piperidin-1-ylbut-2-enamide
CID 71513375
(E)-4-bromo-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 22269894
tert-butyl 4-[2-[[4-(3-bromoanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]amino]-2-oxoethylidene]piperidine-1-carboxylate
CID 59382748
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(1-methylpiperidin-4-ylidene)acetamide
CID 59382717
ethyl 2-[4-[3-[4-(3-bromoanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]acetate
CID 11490307
(E)-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
CID 11691761
N-[4-(3-bromoanilino)-7-(1-piperidin-4-ylethoxy)quinazolin-6-yl]-2-fluoroprop-2-enamide
CID 90282676

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide?
The IUPAC name of N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide (CID 59382779) is N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide.
What is the SMILES notation for N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide?
The canonical SMILES for N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide is CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C1CCNCC1.
What is the InChIKey of N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide?
The InChIKey is CDDXSOAZKNNQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O2/c1-2-31-21-13-19-18(12-20(21)29-22(30)10-15-6-8-25-9-7-15)23(27-14-26-19)28-17-5-3-4-16(24)11-17/h3-5,10-14,25H,2,6-9H2,1H3,(H,29,30)(H,26,27,28).
What are the key properties of N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide?
N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide has a molecular weight of 482.38 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)-7-ethoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide is sourced from PubChem (CID 59382779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).