N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride

C23H30ClN5O3 — CID 3049729

IUPACN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride
SMILESCCN(CCCN(C)C(=O)c1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1.Cl
InChIInChI=1S/C23H29N5O3.ClH/c1-5-28(13-9-12-27(2)22(29)16-10-7-6-8-11-16)23-25-18-15-20(31-4)19(30-3)14-17(18)21(24)26-23;/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H2,24,25,26);1H
InChIKeyQDYCSEVOVYSYQO-UHFFFAOYSA-N
MW459.98 g/mol
LogP3.64
Rot. Bonds9

About N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride

N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride (PubChem CID 3049729) has the molecular formula C23H30ClN5O3 and a molecular weight of 459.98 g/mol. Its IUPAC name is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride
PubChem CID3049729
Molecular FormulaC23H30ClN5O3
Molecular Weight459.98 g/mol
Exact Mass459.20
IUPAC NameN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride
SMILESCCN(CCCN(C)C(=O)c1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1.Cl
InChIInChI=1S/C23H29N5O3.ClH/c1-5-28(13-9-12-27(2)22(29)16-10-7-6-8-11-16)23-25-18-15-20(31-4)19(30-3)14-17(18)21(24)26-23;/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H2,24,25,26);1H
InChIKeyQDYCSEVOVYSYQO-UHFFFAOYSA-N
XLogP3.64
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride (CID 3049729) is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride is CCN(CCCN(C)C(=O)c1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1.Cl.
What is the InChIKey of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride?
The InChIKey is QDYCSEVOVYSYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3.ClH/c1-5-28(13-9-12-27(2)22(29)16-10-7-6-8-11-16)23-25-18-15-20(31-4)19(30-3)14-17(18)21(24)26-23;/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H2,24,25,26);1H.
What are the key properties of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride?
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride has a molecular weight of 459.98 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 3049729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).