N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine

C19H27N5O3 — CID 89407740

IUPACN-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine
SMILESCCON(c1ncnc2cccc(OC3CCOCC3)c12)N1CCNCC1
InChIInChI=1S/C19H27N5O3/c1-2-26-24(23-10-8-20-9-11-23)19-18-16(21-14-22-19)4-3-5-17(18)27-15-6-12-25-13-7-15/h3-5,14-15,20H,2,6-13H2,1H3
InChIKeyFRXKRCUULSATHZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.77
Rot. Bonds6

About N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine

N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine (PubChem CID 89407740) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine
PubChem CID89407740
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine
SMILESCCON(c1ncnc2cccc(OC3CCOCC3)c12)N1CCNCC1
InChIInChI=1S/C19H27N5O3/c1-2-26-24(23-10-8-20-9-11-23)19-18-16(21-14-22-19)4-3-5-17(18)27-15-6-12-25-13-7-15/h3-5,14-15,20H,2,6-13H2,1H3
InChIKeyFRXKRCUULSATHZ-UHFFFAOYSA-N
XLogP1.77
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171284023
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)quinazolin-4-amine
CID 126605179
2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine
CID 71259819
2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171294267
1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine
CID 104707166
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
CID 159421009
1-[(S)-(2-fluoro-6-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280770
1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
CID 171280802
2-chloro-8-(oxan-4-yloxy)quinazoline
CID 58082185
3-[2-(oxan-4-yloxy)phenyl]piperidine
CID 117408165
1-[(S)-(5-bromo-2-ethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278487

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine (CID 89407740) is N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine is CCON(c1ncnc2cccc(OC3CCOCC3)c12)N1CCNCC1.
What is the InChIKey of N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine?
The InChIKey is FRXKRCUULSATHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-2-26-24(23-10-8-20-9-11-23)19-18-16(21-14-22-19)4-3-5-17(18)27-15-6-12-25-13-7-15/h3-5,14-15,20H,2,6-13H2,1H3.
What are the key properties of N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine?
N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-(oxan-4-yloxy)-N-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 89407740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).