N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine

C18H26N4O2 — CID 162652644

IUPACN-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H26N4O2/c1-4-5-8-19-17-13-11-15(23-2)16(24-3)12-14(13)20-18(21-17)22-9-6-7-10-22/h11-12H,4-10H2,1-3H3,(H,19,20,21)
InChIKeyQLLRSQRAYZFUJN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.46
Rot. Bonds7

About N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine

N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 162652644) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID162652644
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H26N4O2/c1-4-5-8-19-17-13-11-15(23-2)16(24-3)12-14(13)20-18(21-17)22-9-6-7-10-22/h11-12H,4-10H2,1-3H3,(H,19,20,21)
InChIKeyQLLRSQRAYZFUJN-UHFFFAOYSA-N
XLogP3.46
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine (CID 162652644) is N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine is CCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12.
What is the InChIKey of N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is QLLRSQRAYZFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-5-8-19-17-13-11-15(23-2)16(24-3)12-14(13)20-18(21-17)22-9-6-7-10-22/h11-12H,4-10H2,1-3H3,(H,19,20,21).
What are the key properties of N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine?
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 330.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 162652644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).