ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate

C19H27N5O4 — CID 3049505

IUPACethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-6-8-24(9-7-12)18-21-14-11-16(27-4)15(26-3)10-13(14)17(20)22-18/h10-12H,5-9H2,1-4H3,(H2,20,21,22)
InChIKeyWOGGUPDXQPCHRA-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.29
Rot. Bonds5

About ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate

ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 3049505) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
PubChem CID3049505
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Nameethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-6-8-24(9-7-12)18-21-14-11-16(27-4)15(26-3)10-13(14)17(20)22-18/h10-12H,5-9H2,1-4H3,(H2,20,21,22)
InChIKeyWOGGUPDXQPCHRA-UHFFFAOYSA-N
XLogP2.29
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137425
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
CID 163462957
CID 163462957
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 12837101
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 155912195
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
1-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]cyclopentan-1-ol
CID 57012621
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydron;chloride
CID 45108257

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate (CID 3049505) is ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate is CCOC(=O)N(C)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.
What is the InChIKey of ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is WOGGUPDXQPCHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-6-8-24(9-7-12)18-21-14-11-16(27-4)15(26-3)10-13(14)17(20)22-18/h10-12H,5-9H2,1-4H3,(H2,20,21,22).
What are the key properties of ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate?
ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 389.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 3049505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).