N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride

C21H26ClN3O2 — CID 18590577

IUPACN,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride
SMILESCOCCN(CCOC)c1nc(-c2ccc(C)cc2)nc2ccccc12.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-16-8-10-17(11-9-16)20-22-19-7-5-4-6-18(19)21(23-20)24(12-14-25-2)13-15-26-3;/h4-11H,12-15H2,1-3H3;1H
InChIKeyLFDAPJRRNJJOKS-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.13
Rot. Bonds8

About N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride

N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 18590577) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride
PubChem CID18590577
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride
SMILESCOCCN(CCOC)c1nc(-c2ccc(C)cc2)nc2ccccc12.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-16-8-10-17(11-9-16)20-22-19-7-5-4-6-18(19)21(23-20)24(12-14-25-2)13-15-26-3;/h4-11H,12-15H2,1-3H3;1H
InChIKeyLFDAPJRRNJJOKS-UHFFFAOYSA-N
XLogP4.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride (CID 18590577) is N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride is COCCN(CCOC)c1nc(-c2ccc(C)cc2)nc2ccccc12.Cl.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is LFDAPJRRNJJOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-16-8-10-17(11-9-16)20-22-19-7-5-4-6-18(19)21(23-20)24(12-14-25-2)13-15-26-3;/h4-11H,12-15H2,1-3H3;1H.
What are the key properties of N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride?
N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 18590577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).