4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine

C26H23N5O — CID 509557

IUPAC4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccc(OCc4ccc5ccccc5n4)cc3)c2c1
InChIInChI=1S/C26H23N5O/c27-20-8-12-25-23(15-20)26(30-17-29-25)28-14-13-18-5-10-22(11-6-18)32-16-21-9-7-19-3-1-2-4-24(19)31-21/h1-12,15,17H,13-14,16,27H2,(H,28,29,30)
InChIKeyHBKIRMWYGZMQAH-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.99
Rot. Bonds7

About 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine

4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine (PubChem CID 509557) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
PubChem CID509557
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccc(OCc4ccc5ccccc5n4)cc3)c2c1
InChIInChI=1S/C26H23N5O/c27-20-8-12-25-23(15-20)26(30-17-29-25)28-14-13-18-5-10-22(11-6-18)32-16-21-9-7-19-3-1-2-4-24(19)31-21/h1-12,15,17H,13-14,16,27H2,(H,28,29,30)
InChIKeyHBKIRMWYGZMQAH-UHFFFAOYSA-N
XLogP4.99
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine (CID 509557) is 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCc3ccc(OCc4ccc5ccccc5n4)cc3)c2c1.
What is the InChIKey of 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The InChIKey is HBKIRMWYGZMQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c27-20-8-12-25-23(15-20)26(30-17-29-25)28-14-13-18-5-10-22(11-6-18)32-16-21-9-7-19-3-1-2-4-24(19)31-21/h1-12,15,17H,13-14,16,27H2,(H,28,29,30).
What are the key properties of 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine has a molecular weight of 421.50 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 509557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).