2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate

C25H36N5O4- — CID 22260358

IUPAC2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate
SMILESCOc1cc2c(N3CCN(C(=O)[O-])C(C(C)(C)C)C3)ncnc2cc1OCCN1CCCCC1
InChIInChI=1S/C25H37N5O4/c1-25(2,3)22-16-29(10-11-30(22)24(31)32)23-18-14-20(33-4)21(15-19(18)26-17-27-23)34-13-12-28-8-6-5-7-9-28/h14-15,17,22H,5-13,16H2,1-4H3,(H,31,32)/p-1
InChIKeyNRONWACMYRPKBW-UHFFFAOYSA-M
MW470.59 g/mol
LogP2.38
Rot. Bonds6

About 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate

2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate (PubChem CID 22260358) has the molecular formula C25H36N5O4- and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate
PubChem CID22260358
Molecular FormulaC25H36N5O4-
Molecular Weight470.59 g/mol
Exact Mass470.28
IUPAC Name2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate
SMILESCOc1cc2c(N3CCN(C(=O)[O-])C(C(C)(C)C)C3)ncnc2cc1OCCN1CCCCC1
InChIInChI=1S/C25H37N5O4/c1-25(2,3)22-16-29(10-11-30(22)24(31)32)23-18-14-20(33-4)21(15-19(18)26-17-27-23)34-13-12-28-8-6-5-7-9-28/h14-15,17,22H,5-13,16H2,1-4H3,(H,31,32)/p-1
InChIKeyNRONWACMYRPKBW-UHFFFAOYSA-M
XLogP2.38
TPSA94.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

2-tert-butyl-4-[6-methoxy-7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 66838378
2-tert-butyl-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)-1,4-diazepane-1-carboxylic acid
CID 166071289
2-tert-butyl-4-[6-methoxy-7-(1-piperidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 66838379
N-[(4-bromophenyl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 10304142
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
CID 10992646
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
methane;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide;sulfuric acid
CID 158781119
N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
CID 10276098
1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide
CID 171705302
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate?
The IUPAC name of 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate (CID 22260358) is 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate is COc1cc2c(N3CCN(C(=O)[O-])C(C(C)(C)C)C3)ncnc2cc1OCCN1CCCCC1.
What is the InChIKey of 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate?
The InChIKey is NRONWACMYRPKBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H37N5O4/c1-25(2,3)22-16-29(10-11-30(22)24(31)32)23-18-14-20(33-4)21(15-19(18)26-17-27-23)34-13-12-28-8-6-5-7-9-28/h14-15,17,22H,5-13,16H2,1-4H3,(H,31,32)/p-1.
What are the key properties of 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate?
2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate has a molecular weight of 470.59 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 22260358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).