7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine

C22H26N4O — CID 5330306

IUPAC7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H26N4O/c1-15(2)20-19(27-3)11-6-16-14-23-22(25-21(16)20)24-17-7-9-18(10-8-17)26-12-4-5-13-26/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,24,25)
InChIKeyAWFQXBDHAKLADX-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.11
Rot. Bonds5

About 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine

7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine (PubChem CID 5330306) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine
PubChem CID5330306
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H26N4O/c1-15(2)20-19(27-3)11-6-16-14-23-22(25-21(16)20)24-17-7-9-18(10-8-17)26-12-4-5-13-26/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,24,25)
InChIKeyAWFQXBDHAKLADX-UHFFFAOYSA-N
XLogP5.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine?
The IUPAC name of 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine (CID 5330306) is 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCCC4)cc3)nc2c1C(C)C.
What is the InChIKey of 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine?
The InChIKey is AWFQXBDHAKLADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(2)20-19(27-3)11-6-16-14-23-22(25-21(16)20)24-17-7-9-18(10-8-17)26-12-4-5-13-26/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,24,25).
What are the key properties of 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine?
7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 5330306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).