N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane

C27H42N4O4 — CID 143371247

IUPACN-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane
SMILESCCCC(=O)N(C)CCCOc1ccc2c(C3CCN(C=O)CC3)ncnc2c1.COC(C)(C)C
InChIInChI=1S/C22H30N4O3.C5H12O/c1-3-5-21(28)25(2)10-4-13-29-18-6-7-19-20(14-18)23-15-24-22(19)17-8-11-26(16-27)12-9-17;1-5(2,3)6-4/h6-7,14-17H,3-5,8-13H2,1-2H3;1-4H3
InChIKeyJETNZDJSRYQGRP-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.42
Rot. Bonds9

About N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane

N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane (PubChem CID 143371247) has the molecular formula C27H42N4O4 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound NameN-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane
PubChem CID143371247
Molecular FormulaC27H42N4O4
Molecular Weight486.66 g/mol
Exact Mass486.32
IUPAC NameN-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane
SMILESCCCC(=O)N(C)CCCOc1ccc2c(C3CCN(C=O)CC3)ncnc2c1.COC(C)(C)C
InChIInChI=1S/C22H30N4O3.C5H12O/c1-3-5-21(28)25(2)10-4-13-29-18-6-7-19-20(14-18)23-15-24-22(19)17-8-11-26(16-27)12-9-17;1-5(2,3)6-4/h6-7,14-17H,3-5,8-13H2,1-2H3;1-4H3
InChIKeyJETNZDJSRYQGRP-UHFFFAOYSA-N
XLogP4.42
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane?
The IUPAC name of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane (CID 143371247) is N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane.
What is the SMILES notation for N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane?
The canonical SMILES for N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane is CCCC(=O)N(C)CCCOc1ccc2c(C3CCN(C=O)CC3)ncnc2c1.COC(C)(C)C.
What is the InChIKey of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane?
The InChIKey is JETNZDJSRYQGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3.C5H12O/c1-3-5-21(28)25(2)10-4-13-29-18-6-7-19-20(14-18)23-15-24-22(19)17-8-11-26(16-27)12-9-17;1-5(2,3)6-4/h6-7,14-17H,3-5,8-13H2,1-2H3;1-4H3.
What are the key properties of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane?
N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane has a molecular weight of 486.66 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 143371247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).