(6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate

C25H30N4O5 — CID 90928488

IUPAC(6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate
SMILESCOc1cc2ncnc(OC(=O)N(c3ccc(OC(C)C)cc3)N3CCCCC3)c2cc1OC
InChIInChI=1S/C25H30N4O5/c1-17(2)33-19-10-8-18(9-11-19)29(28-12-6-5-7-13-28)25(30)34-24-20-14-22(31-3)23(32-4)15-21(20)26-16-27-24/h8-11,14-17H,5-7,12-13H2,1-4H3
InChIKeyNEYSIGLGQHRGKG-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.84
Rot. Bonds7

About (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate

(6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate (PubChem CID 90928488) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate.

Molecular Properties

Compound Name(6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate
PubChem CID90928488
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name(6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate
SMILESCOc1cc2ncnc(OC(=O)N(c3ccc(OC(C)C)cc3)N3CCCCC3)c2cc1OC
InChIInChI=1S/C25H30N4O5/c1-17(2)33-19-10-8-18(9-11-19)29(28-12-6-5-7-13-28)25(30)34-24-20-14-22(31-3)23(32-4)15-21(20)26-16-27-24/h8-11,14-17H,5-7,12-13H2,1-4H3
InChIKeyNEYSIGLGQHRGKG-UHFFFAOYSA-N
XLogP4.84
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate
CID 91544459
1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 58770571
4-(7-ethoxy-6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10115819
4-(6-methoxy-7-prop-2-ynoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10184004
N-[4-[7-(2-hydroxy-1-piperidin-3-ylpropoxy)-6-methoxyquinazolin-4-yl]piperazin-1-yl]-N-(4-propan-2-yloxyphenyl)formamide
CID 87174793
hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate
CID 58739050
4-chloro-6-methoxy-7-(1-piperidin-1-ylethoxy)quinazoline
CID 91363956
4-[6-(2-methoxyethoxy)-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10210632
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
2-hydroxypropane-1,2,3-tricarboxylic acid;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 71584894
6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
7-methoxy-6-propan-2-yloxyquinazolin-4-amine
CID 141299467

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate?
The IUPAC name of (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate (CID 90928488) is (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate.
What is the SMILES notation for (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate?
The canonical SMILES for (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate is COc1cc2ncnc(OC(=O)N(c3ccc(OC(C)C)cc3)N3CCCCC3)c2cc1OC.
What is the InChIKey of (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate?
The InChIKey is NEYSIGLGQHRGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-17(2)33-19-10-8-18(9-11-19)29(28-12-6-5-7-13-28)25(30)34-24-20-14-22(31-3)23(32-4)15-21(20)26-16-27-24/h8-11,14-17H,5-7,12-13H2,1-4H3.
What are the key properties of (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate?
(6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate has a molecular weight of 466.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate is sourced from PubChem (CID 90928488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).