N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine

C23H37N5O2 — CID 118708792

IUPACN-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C23H37N5O2/c1-5-27(6-2)13-9-7-8-12-24-22-18-16-20(29-3)21(30-4)17-19(18)25-23(26-22)28-14-10-11-15-28/h16-17H,5-15H2,1-4H3,(H,24,25,26)
InChIKeyMNLMYEFNITULBF-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.17
Rot. Bonds12

About N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine

N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine (PubChem CID 118708792) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine
PubChem CID118708792
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC NameN-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C23H37N5O2/c1-5-27(6-2)13-9-7-8-12-24-22-18-16-20(29-3)21(30-4)17-19(18)25-23(26-22)28-14-10-11-15-28/h16-17H,5-15H2,1-4H3,(H,24,25,26)
InChIKeyMNLMYEFNITULBF-UHFFFAOYSA-N
XLogP4.17
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The IUPAC name of N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine (CID 118708792) is N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine.
What is the SMILES notation for N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The canonical SMILES for N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine is CCN(CC)CCCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12.
What is the InChIKey of N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The InChIKey is MNLMYEFNITULBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-5-27(6-2)13-9-7-8-12-24-22-18-16-20(29-3)21(30-4)17-19(18)25-23(26-22)28-14-10-11-15-28/h16-17H,5-15H2,1-4H3,(H,24,25,26).
What are the key properties of N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine has a molecular weight of 415.58 g/mol, XLogP of 4.17, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)-N',N'-diethylpentane-1,5-diamine is sourced from PubChem (CID 118708792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).