6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine

C24H24Cl2N4O2 — CID 157290356

IUPAC6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine
SMILESC=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-4-15(2)30-9-7-17(8-10-30)32-23-12-18-21(13-22(23)31-3)27-14-28-24(18)29-20-6-5-16(25)11-19(20)26/h4-6,11-14,17H,1-2,7-10H2,3H3,(H,27,28,29)
InChIKeyAYHKNFUZQXXRRJ-UHFFFAOYSA-N
MW471.39 g/mol
LogP6.23
Rot. Bonds7

About 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine

6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine (PubChem CID 157290356) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine
PubChem CID157290356
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine
SMILESC=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-4-15(2)30-9-7-17(8-10-30)32-23-12-18-21(13-22(23)31-3)27-14-28-24(18)29-20-6-5-16(25)11-19(20)26/h4-6,11-14,17H,1-2,7-10H2,3H3,(H,27,28,29)
InChIKeyAYHKNFUZQXXRRJ-UHFFFAOYSA-N
XLogP6.23
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine with MolForge

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Related Compounds

1-[4-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 155235870
1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 155242989
1-[4-[4-(4-chloro-2-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 59404847
6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 157251184
sodium 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 54767761
1-[4-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128361
1-[4-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25123749
(Z)-4-[4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-4-oxobut-2-enoic acid
CID 59404865
4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxamide
CID 142760923
(E)-3-chloro-1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25124396
6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 158022190
1-[4-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 152812807

Frequently Asked Questions

What is the IUPAC name of 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine?
The IUPAC name of 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine (CID 157290356) is 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine?
The canonical SMILES for 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine is C=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)CC1.
What is the InChIKey of 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine?
The InChIKey is AYHKNFUZQXXRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-4-15(2)30-9-7-17(8-10-30)32-23-12-18-21(13-22(23)31-3)27-14-28-24(18)29-20-6-5-16(25)11-19(20)26/h4-6,11-14,17H,1-2,7-10H2,3H3,(H,27,28,29).
What are the key properties of 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine?
6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine has a molecular weight of 471.39 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 157290356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).