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

C19H27N5O4 — CID 59662964

IUPACN-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide
SMILES[2H]c1c(OC)c(OC)c([2H])c2c(N)nc(N(C)C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)C3([2H])CCCO3)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)/i5D2,7D2,8D2,10D,11D,14D
InChIKeyWNMJYKCGWZFFKR-OELPGQADSA-N
MW398.51 g/mol
LogP1.35
Rot. Bonds8

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

N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide (PubChem CID 59662964) has the molecular formula C19H27N5O4 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide
PubChem CID59662964
Molecular FormulaC19H27N5O4
Molecular Weight398.51 g/mol
Exact Mass398.26
IUPAC NameN-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide
SMILES[2H]c1c(OC)c(OC)c([2H])c2c(N)nc(N(C)C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)C3([2H])CCCO3)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)/i5D2,7D2,8D2,10D,11D,14D
InChIKeyWNMJYKCGWZFFKR-OELPGQADSA-N
XLogP1.35
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

CID 2092
CID 2092
CID 4893
CID 4893
CID 3157
CID 3157
CID 5401
CID 5401
CID 68546
CID 68546
CID 71764
CID 71764
CID 62978
CID 62978
CID 3038522
CID 3038522
CID 2472
CID 2472
CID 44383
CID 44383
CID 63016
CID 63016
CID 616267
CID 616267

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide?
The IUPAC name of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide (CID 59662964) is N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide?
The canonical SMILES for N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide is [2H]c1c(OC)c(OC)c([2H])c2c(N)nc(N(C)C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)C3([2H])CCCO3)nc12.
What is the InChIKey of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide?
The InChIKey is WNMJYKCGWZFFKR-OELPGQADSA-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)/i5D2,7D2,8D2,10D,11D,14D.
What are the key properties of N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide?
N-[3-[(4-amino-5,8-dideuterio-6,7-dimethoxyquinazolin-2-yl)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.35, 8 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)-methylamino]-1,1,2,2,3,3-hexadeuteriopropyl]-2-deuteriooxolane-2-carboxamide is sourced from PubChem (CID 59662964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).