N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide

C22H30N4O3 — CID 143371248

IUPACN-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CCCOc1ccc2c(C3CCN(C=O)CC3)ncnc2c1
InChIInChI=1S/C22H30N4O3/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/h6-7,14-17H,3-5,8-13H2,1-2H3
InChIKeyOWRJYUJUCUSAAX-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.99
Rot. Bonds9

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

N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide (PubChem CID 143371248) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide
PubChem CID143371248
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CCCOc1ccc2c(C3CCN(C=O)CC3)ncnc2c1
InChIInChI=1S/C22H30N4O3/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/h6-7,14-17H,3-5,8-13H2,1-2H3
InChIKeyOWRJYUJUCUSAAX-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide;2-methoxy-2-methylpropane
CID 143371247
4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260341
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(7-ethoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 162748737
N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine
CID 59551670
4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69259081
4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69261813
ethane;4-[7-(3-methylsulfanyloxypropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 143371591
4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260348
4-[7-(3-amino-3-methylsulfonylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 174565061
N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide
CID 58770754
7-[3-(4-methylsulfanylpiperazin-1-yl)propoxy]-4-piperidin-4-ylquinazoline
CID 143371236
methanol;4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 143371093

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide?
The IUPAC name of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide (CID 143371248) is N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide.
What is the SMILES notation for N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide?
The canonical SMILES for N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide is CCCC(=O)N(C)CCCOc1ccc2c(C3CCN(C=O)CC3)ncnc2c1.
What is the InChIKey of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide?
The InChIKey is OWRJYUJUCUSAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/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/h6-7,14-17H,3-5,8-13H2,1-2H3.
What are the key properties of N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide?
N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide has a molecular weight of 398.51 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 143371248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).