N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine

C24H25N5O — CID 24891646

IUPACN-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
SMILESCOCCNC(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H25N5O/c1-17(26-13-14-30-2)18-3-6-22(7-4-18)28-24-27-16-21-15-20(5-8-23(21)29-24)19-9-11-25-12-10-19/h3-12,15-17,26H,13-14H2,1-2H3,(H,27,28,29)
InChIKeyGTVDKMPFFQQVEL-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.73
Rot. Bonds8

About N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine

N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine (PubChem CID 24891646) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
PubChem CID24891646
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
SMILESCOCCNC(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H25N5O/c1-17(26-13-14-30-2)18-3-6-22(7-4-18)28-24-27-16-21-15-20(5-8-23(21)29-24)19-9-11-25-12-10-19/h3-12,15-17,26H,13-14H2,1-2H3,(H,27,28,29)
InChIKeyGTVDKMPFFQQVEL-UHFFFAOYSA-N
XLogP4.73
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ngd-8243
CID 11247522
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
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N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Derazantinib
CID 46834118
Sri-9439
CID 446752
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328090

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The IUPAC name of N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine (CID 24891646) is N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine.
What is the SMILES notation for N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The canonical SMILES for N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine is COCCNC(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The InChIKey is GTVDKMPFFQQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17(26-13-14-30-2)18-3-6-22(7-4-18)28-24-27-16-21-15-20(5-8-23(21)29-24)19-9-11-25-12-10-19/h3-12,15-17,26H,13-14H2,1-2H3,(H,27,28,29).
What are the key properties of N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine is sourced from PubChem (CID 24891646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).