N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane

C26H38N4O4 — CID 143371156

IUPACN-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane
SMILESC/C=C(\C)NC(=O)C1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1.C=CCOC(C)C
InChIInChI=1S/C20H26N4O3.C6H12O/c1-5-13(2)23-20(25)14-6-8-24(9-7-14)19-15-10-17(26-3)18(27-4)11-16(15)21-12-22-19;1-4-5-7-6(2)3/h5,10-12,14H,6-9H2,1-4H3,(H,23,25);4,6H,1,5H2,2-3H3/b13-5+;
InChIKeyGODRMIYTMAYIMO-CMZQJCRFSA-N
MW470.61 g/mol
LogP4.50
Rot. Bonds8

About N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane

N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane (PubChem CID 143371156) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane
PubChem CID143371156
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC NameN-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane
SMILESC/C=C(\C)NC(=O)C1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1.C=CCOC(C)C
InChIInChI=1S/C20H26N4O3.C6H12O/c1-5-13(2)23-20(25)14-6-8-24(9-7-14)19-15-10-17(26-3)18(27-4)11-16(15)21-12-22-19;1-4-5-7-6(2)3/h5,10-12,14H,6-9H2,1-4H3,(H,23,25);4,6H,1,5H2,2-3H3/b13-5+;
InChIKeyGODRMIYTMAYIMO-CMZQJCRFSA-N
XLogP4.50
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 58770571
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane?
The IUPAC name of N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane (CID 143371156) is N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane is C/C=C(\C)NC(=O)C1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1.C=CCOC(C)C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane?
The InChIKey is GODRMIYTMAYIMO-CMZQJCRFSA-N. The full InChI is InChI=1S/C20H26N4O3.C6H12O/c1-5-13(2)23-20(25)14-6-8-24(9-7-14)19-15-10-17(26-3)18(27-4)11-16(15)21-12-22-19;1-4-5-7-6(2)3/h5,10-12,14H,6-9H2,1-4H3,(H,23,25);4,6H,1,5H2,2-3H3/b13-5+;.
What are the key properties of N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane?
N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane has a molecular weight of 470.61 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane is sourced from PubChem (CID 143371156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).