N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide

C19H27N5O4 — CID 25235655

IUPACN,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
SMILES[2H]N(CCCN(C)c1nc(N([2H])[2H])c2cc(OC)c(OC)cc2n1)C(=O)C1([2H])CCCO1
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)/i14D/hD3
InChIKeyWNMJYKCGWZFFKR-SQUPHPTRSA-N
MW393.48 g/mol
LogP1.35
Rot. Bonds9

About N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide

N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide (PubChem CID 25235655) has the molecular formula C19H27N5O4 and a molecular weight of 393.48 g/mol. Its IUPAC name is N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
PubChem CID25235655
Molecular FormulaC19H27N5O4
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC NameN,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
SMILES[2H]N(CCCN(C)c1nc(N([2H])[2H])c2cc(OC)c(OC)cc2n1)C(=O)C1([2H])CCCO1
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)/i14D/hD3
InChIKeyWNMJYKCGWZFFKR-SQUPHPTRSA-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 ≤ 500393.48
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-deuterio-N-[3-[[5,8-dideuterio-4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
CID 59662759
N-[3-[[4-amino-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
CID 76973780
N-deuterio-N-[3-[[5,8-dideuterio-4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-(trideuteriomethyl)amino]propyl]oxolane-2-carboxamide
CID 59662945
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide
CID 160782780
N-deuterio-N-[3-[[5,8-dideuterio-4-(dideuterioamino)-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]-(trideuteriomethyl)amino]propyl]oxolane-2-carboxamide
CID 59662910
N-[3-[[6,7-dimethoxy-4-(propanoylamino)quinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
CID 25126366
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
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 12919466
N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide
CID 143494263
2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 169437840
N-[4-amino-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)pentyl]oxolane-2-carboxamide
CID 71064146
2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 134115399

Frequently Asked Questions

What is the IUPAC name of N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide?
The IUPAC name of N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide (CID 25235655) is N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide?
The canonical SMILES for N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide is [2H]N(CCCN(C)c1nc(N([2H])[2H])c2cc(OC)c(OC)cc2n1)C(=O)C1([2H])CCCO1.
What is the InChIKey of N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide?
The InChIKey is WNMJYKCGWZFFKR-SQUPHPTRSA-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)/i14D/hD3.
What are the key properties of N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide?
N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide has a molecular weight of 393.48 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,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 25235655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).