N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide

C19H27N5O4 — CID 59662812

IUPACN-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide
SMILES[2H]c1c(OC)c(OC)c([2H])c2c(N)nc(N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)C3CCCO3)nc12
InChIInChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)/i1D3,5D2,7D2,8D2,10D,11D
InChIKeyWNMJYKCGWZFFKR-PYDMCPDRSA-N
MW400.52 g/mol
LogP1.35
Rot. Bonds9

About N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide

N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide (PubChem CID 59662812) has the molecular formula C19H27N5O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide
PubChem CID59662812
Molecular FormulaC19H27N5O4
Molecular Weight400.52 g/mol
Exact Mass400.28
IUPAC NameN-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide
SMILES[2H]c1c(OC)c(OC)c([2H])c2c(N)nc(N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)C3CCCO3)nc12
InChIInChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)/i1D3,5D2,7D2,8D2,10D,11D
InChIKeyWNMJYKCGWZFFKR-PYDMCPDRSA-N
XLogP1.35
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide (CID 59662812) is N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide is [2H]c1c(OC)c(OC)c([2H])c2c(N)nc(N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)C3CCCO3)nc12.
What is the InChIKey of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide?
The InChIKey is WNMJYKCGWZFFKR-PYDMCPDRSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)/i1D3,5D2,7D2,8D2,10D,11D.
What are the key properties of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide?
N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]-1,1,2,2,3,3-hexadeuteriopropyl]oxolane-2-carboxamide is sourced from PubChem (CID 59662812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).