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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
Vuf5574
CID 4046493
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
Pyrazole, 16
CID 11567059
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960
n-Methyl-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16748211
N2-(2-Methoxyphenethyl)-N4-methyl-N6-(quinolin-6-yl)-1,3,5-triazine-2,4,6-triamine
CID 24767924

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).