N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride

C19H28ClN5O4 — CID 69370941

IUPACN-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride
SMILESCNC(CCNC(=O)C1CCCO1)c1nc(N)c2cc(OC)c(OC)cc2n1.Cl
InChIInChI=1S/C19H27N5O4.ClH/c1-21-12(6-7-22-19(25)14-5-4-8-28-14)18-23-13-10-16(27-3)15(26-2)9-11(13)17(20)24-18;/h9-10,12,14,21H,4-8H2,1-3H3,(H,22,25)(H2,20,23,24);1H
InChIKeyGQVIEHQCODWNHE-UHFFFAOYSA-N
MW425.92 g/mol
LogP1.60
Rot. Bonds8

About N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride

N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 69370941) has the molecular formula C19H28ClN5O4 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride
PubChem CID69370941
Molecular FormulaC19H28ClN5O4
Molecular Weight425.92 g/mol
Exact Mass425.18
IUPAC NameN-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride
SMILESCNC(CCNC(=O)C1CCCO1)c1nc(N)c2cc(OC)c(OC)cc2n1.Cl
InChIInChI=1S/C19H27N5O4.ClH/c1-21-12(6-7-22-19(25)14-5-4-8-28-14)18-23-13-10-16(27-3)15(26-2)9-11(13)17(20)24-18;/h9-10,12,14,21H,4-8H2,1-3H3,(H,22,25)(H2,20,23,24);1H
InChIKeyGQVIEHQCODWNHE-UHFFFAOYSA-N
XLogP1.60
TPSA120.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride (CID 69370941) is N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride is CNC(CCNC(=O)C1CCCO1)c1nc(N)c2cc(OC)c(OC)cc2n1.Cl.
What is the InChIKey of N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is GQVIEHQCODWNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4.ClH/c1-21-12(6-7-22-19(25)14-5-4-8-28-14)18-23-13-10-16(27-3)15(26-2)9-11(13)17(20)24-18;/h9-10,12,14,21H,4-8H2,1-3H3,(H,22,25)(H2,20,23,24);1H.
What are the key properties of N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride?
N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-(methylamino)propyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 69370941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).